N-cyclopentyl-3-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide

C15H23N5O — CID 110197128

IUPACN-cyclopentyl-3-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
SMILESO=C(NC1CCCC1)N1CCc2nnc(C3CC3)n2CC1
InChIInChI=1S/C15H23N5O/c21-15(16-12-3-1-2-4-12)19-8-7-13-17-18-14(11-5-6-11)20(13)10-9-19/h11-12H,1-10H2,(H,16,21)
InChIKeyTVBVGZCEXZRBOT-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.67
Rot. Bonds2

About N-cyclopentyl-3-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide

N-cyclopentyl-3-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide (PubChem CID 110197128) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-cyclopentyl-3-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
PubChem CID110197128
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-cyclopentyl-3-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
SMILESO=C(NC1CCCC1)N1CCc2nnc(C3CC3)n2CC1
InChIInChI=1S/C15H23N5O/c21-15(16-12-3-1-2-4-12)19-8-7-13-17-18-14(11-5-6-11)20(13)10-9-19/h11-12H,1-10H2,(H,16,21)
InChIKeyTVBVGZCEXZRBOT-UHFFFAOYSA-N
XLogP1.67
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[1-(cyclohexylmethyl)piperidin-4-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone
CID 92624089
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-cyclopentyl-3-oxopyrrolidine-1-carboxamide
CID 130826752
3-cyclopentyl-1-[3-(1-methylpiperidin-3-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]propan-1-one
CID 110260198
1-[3-[(3R)-pyrrolidin-3-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone
CID 125462510
4-(1-aminocyclopentanecarbonyl)-N-cyclohexylpiperazine-1-carboxamide
CID 119291514
N-cyclohexyl-4-(cyclopentanecarbonyl)piperazine-1-carboxamide
CID 110364760
N-cycloheptyl-4-[(4-cyclopropyltriazol-1-yl)methyl]piperidine-1-carboxamide
CID 46999186
2,2-dimethyl-1-[3-(1-methylpiperidin-3-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]propan-1-one
CID 110260197
1-[3-(1-acetylpyrrolidin-2-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone
CID 110262958
N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409
N-cyclopentyl-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 134792457

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide?
The IUPAC name of N-cyclopentyl-3-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide (CID 110197128) is N-cyclopentyl-3-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide?
The canonical SMILES for N-cyclopentyl-3-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide is O=C(NC1CCCC1)N1CCc2nnc(C3CC3)n2CC1.
What is the InChIKey of N-cyclopentyl-3-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide?
The InChIKey is TVBVGZCEXZRBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c21-15(16-12-3-1-2-4-12)19-8-7-13-17-18-14(11-5-6-11)20(13)10-9-19/h11-12H,1-10H2,(H,16,21).
What are the key properties of N-cyclopentyl-3-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide?
N-cyclopentyl-3-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide is sourced from PubChem (CID 110197128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).