5-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

C22H31N7 — CID 169377602

IUPAC5-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESCC1(C)CC(C)(C)c2c1cc1[nH]ncc1c2N1C(N)=NC(N)=NC12CCCCC2
InChIInChI=1S/C22H31N7/c1-20(2)12-21(3,4)16-14(20)10-15-13(11-25-28-15)17(16)29-19(24)26-18(23)27-22(29)8-6-5-7-9-22/h10-11H,5-9,12H2,1-4H3,(H,25,28)(H4,23,24,26,27)
InChIKeyCZHKYDADBNODLV-UHFFFAOYSA-N
MW393.54 g/mol
LogP3.63
Rot. Bonds1

About 5-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

5-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169377602) has the molecular formula C22H31N7 and a molecular weight of 393.54 g/mol. Its IUPAC name is 5-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name5-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
PubChem CID169377602
Molecular FormulaC22H31N7
Molecular Weight393.54 g/mol
Exact Mass393.26
IUPAC Name5-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESCC1(C)CC(C)(C)c2c1cc1[nH]ncc1c2N1C(N)=NC(N)=NC12CCCCC2
InChIInChI=1S/C22H31N7/c1-20(2)12-21(3,4)16-14(20)10-15-13(11-25-28-15)17(16)29-19(24)26-18(23)27-22(29)8-6-5-7-9-22/h10-11H,5-9,12H2,1-4H3,(H,25,28)(H4,23,24,26,27)
InChIKeyCZHKYDADBNODLV-UHFFFAOYSA-N
XLogP3.63
TPSA108.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine with MolForge

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Related Compounds

N-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)formamide
CID 168651859
5-(2,6-difluoro-4-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169375379
2,6-dichloro-4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenol
CID 169378221
5-(4,6-dibromo-2,3-dimethylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374409
1-[3-acetyl-5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]ethanone
CID 169376461
5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-methylphenol
CID 169378253
5-[4-bromo-2,6-di(propan-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373945
dimethyl 3-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168635389
5-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373872
5-(4,6-dibromo-2,3-dichlorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373941
5-(2-bromo-4,5-difluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373694
5-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride
CID 2843847

Frequently Asked Questions

What is the IUPAC name of 5-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The IUPAC name of 5-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169377602) is 5-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.
What is the SMILES notation for 5-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The canonical SMILES for 5-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is CC1(C)CC(C)(C)c2c1cc1[nH]ncc1c2N1C(N)=NC(N)=NC12CCCCC2.
What is the InChIKey of 5-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The InChIKey is CZHKYDADBNODLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7/c1-20(2)12-21(3,4)16-14(20)10-15-13(11-25-28-15)17(16)29-19(24)26-18(23)27-22(29)8-6-5-7-9-22/h10-11H,5-9,12H2,1-4H3,(H,25,28)(H4,23,24,26,27).
What are the key properties of 5-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
5-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine has a molecular weight of 393.54 g/mol, XLogP of 3.63, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169377602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).