N-cyclopentyl-15,15-dimethyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;15,15-dimethyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;1H-1,2,4-triazole-5-carboxylic acid

C45H47N15O5 — CID 159602374

IUPACN-cyclopentyl-15,15-dimethyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;15,15-dimethyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;1H-1,2,4-triazole-5-carboxylic acid
SMILESCC1(C)c2cn[nH]c2-c2[nH]c3ccc(C(=O)NC4CCCC4)cc3c21.CC1(C)c2cn[nH]c2-c2[nH]c3ccc(C(=O)NC4CCN(C(=O)c5ncn[nH]5)C4)cc3c21.O=C(O)c1ncn[nH]1
InChIInChI=1S/C22H22N8O2.C20H22N4O.C3H3N3O2/c1-22(2)14-8-24-28-17(14)18-16(22)13-7-11(3-4-15(13)27-18)20(31)26-12-5-6-30(9-12)21(32)19-23-10-25-29-19;1-20(2)14-10-21-24-17(14)18-16(20)13-9-11(7-8-15(13)23-18)19(25)22-12-5-3-4-6-12;7-3(8)2-4-1-5-6-2/h3-4,7-8,10,12,27H,5-6,9H2,1-2H3,(H,24,28)(H,26,31)(H,23,25,29);7-10,12,23H,3-6H2,1-2H3,(H,21,24)(H,22,25);1H,(H,7,8)(H,4,5,6)
InChIKeyMLQKXCDOJSVXKM-UHFFFAOYSA-N
MW877.97 g/mol
LogP5.33
Rot. Bonds6

About N-cyclopentyl-15,15-dimethyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;15,15-dimethyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;1H-1,2,4-triazole-5-carboxylic acid

N-cyclopentyl-15,15-dimethyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;15,15-dimethyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;1H-1,2,4-triazole-5-carboxylic acid (PubChem CID 159602374) has the molecular formula C45H47N15O5 and a molecular weight of 877.97 g/mol. Its IUPAC name is N-cyclopentyl-15,15-dimethyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;15,15-dimethyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;1H-1,2,4-triazole-5-carboxylic acid.

Molecular Properties

Compound NameN-cyclopentyl-15,15-dimethyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;15,15-dimethyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;1H-1,2,4-triazole-5-carboxylic acid
PubChem CID159602374
Molecular FormulaC45H47N15O5
Molecular Weight877.97 g/mol
Exact Mass877.39
IUPAC NameN-cyclopentyl-15,15-dimethyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;15,15-dimethyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;1H-1,2,4-triazole-5-carboxylic acid
SMILESCC1(C)c2cn[nH]c2-c2[nH]c3ccc(C(=O)NC4CCCC4)cc3c21.CC1(C)c2cn[nH]c2-c2[nH]c3ccc(C(=O)NC4CCN(C(=O)c5ncn[nH]5)C4)cc3c21.O=C(O)c1ncn[nH]1
InChIInChI=1S/C22H22N8O2.C20H22N4O.C3H3N3O2/c1-22(2)14-8-24-28-17(14)18-16(22)13-7-11(3-4-15(13)27-18)20(31)26-12-5-6-30(9-12)21(32)19-23-10-25-29-19;1-20(2)14-10-21-24-17(14)18-16(20)13-9-11(7-8-15(13)23-18)19(25)22-12-5-3-4-6-12;7-3(8)2-4-1-5-6-2/h3-4,7-8,10,12,27H,5-6,9H2,1-2H3,(H,24,28)(H,26,31)(H,23,25,29);7-10,12,23H,3-6H2,1-2H3,(H,21,24)(H,22,25);1H,(H,7,8)(H,4,5,6)
InChIKeyMLQKXCDOJSVXKM-UHFFFAOYSA-N
XLogP5.33
TPSA287.89 Ų
H-Bond Donors9
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500877.97
LogP ≤ 55.33
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1010

Analyze N-cyclopentyl-15,15-dimethyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;15,15-dimethyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;1H-1,2,4-triazole-5-carboxylic acid with MolForge

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Related Compounds

15,15-dimethyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide
CID 136609417
3'-methyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide
CID 136609433
N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;3-amino-1H-1,2,4-triazole-5-carboxylic acid;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide
CID 157332956
N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid
CID 159060858
N-cyclopentyl-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid
CID 159561046
2-amino-N-cyclopentyl-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxamide;2-amino-6,6-dimethyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxamide;1H-1,2,4-triazole-5-carboxylic acid
CID 160572336

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-15,15-dimethyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;15,15-dimethyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;1H-1,2,4-triazole-5-carboxylic acid?
The IUPAC name of N-cyclopentyl-15,15-dimethyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;15,15-dimethyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;1H-1,2,4-triazole-5-carboxylic acid (CID 159602374) is N-cyclopentyl-15,15-dimethyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;15,15-dimethyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;1H-1,2,4-triazole-5-carboxylic acid.
What is the SMILES notation for N-cyclopentyl-15,15-dimethyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;15,15-dimethyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;1H-1,2,4-triazole-5-carboxylic acid?
The canonical SMILES for N-cyclopentyl-15,15-dimethyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;15,15-dimethyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;1H-1,2,4-triazole-5-carboxylic acid is CC1(C)c2cn[nH]c2-c2[nH]c3ccc(C(=O)NC4CCCC4)cc3c21.CC1(C)c2cn[nH]c2-c2[nH]c3ccc(C(=O)NC4CCN(C(=O)c5ncn[nH]5)C4)cc3c21.O=C(O)c1ncn[nH]1.
What is the InChIKey of N-cyclopentyl-15,15-dimethyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;15,15-dimethyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;1H-1,2,4-triazole-5-carboxylic acid?
The InChIKey is MLQKXCDOJSVXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O2.C20H22N4O.C3H3N3O2/c1-22(2)14-8-24-28-17(14)18-16(22)13-7-11(3-4-15(13)27-18)20(31)26-12-5-6-30(9-12)21(32)19-23-10-25-29-19;1-20(2)14-10-21-24-17(14)18-16(20)13-9-11(7-8-15(13)23-18)19(25)22-12-5-3-4-6-12;7-3(8)2-4-1-5-6-2/h3-4,7-8,10,12,27H,5-6,9H2,1-2H3,(H,24,28)(H,26,31)(H,23,25,29);7-10,12,23H,3-6H2,1-2H3,(H,21,24)(H,22,25);1H,(H,7,8)(H,4,5,6).
What are the key properties of N-cyclopentyl-15,15-dimethyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;15,15-dimethyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;1H-1,2,4-triazole-5-carboxylic acid?
N-cyclopentyl-15,15-dimethyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;15,15-dimethyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;1H-1,2,4-triazole-5-carboxylic acid has a molecular weight of 877.97 g/mol, XLogP of 5.33, 6 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-15,15-dimethyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;15,15-dimethyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide;1H-1,2,4-triazole-5-carboxylic acid is sourced from PubChem (CID 159602374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).