1-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carbonyl]cyclopentane-1-carbonitrile

C18H23N7O — CID 131682967

IUPAC1-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carbonyl]cyclopentane-1-carbonitrile
SMILESCc1cnnn1Cc1ncn2c1CN(C(=O)C1(C#N)CCCC1)CCC2
InChIInChI=1S/C18H23N7O/c1-14-9-21-22-25(14)10-15-16-11-23(7-4-8-24(16)13-20-15)17(26)18(12-19)5-2-3-6-18/h9,13H,2-8,10-11H2,1H3
InChIKeyJACKHXOYGBAMET-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.65
Rot. Bonds3

About 1-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carbonyl]cyclopentane-1-carbonitrile

1-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carbonyl]cyclopentane-1-carbonitrile (PubChem CID 131682967) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carbonyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carbonyl]cyclopentane-1-carbonitrile
PubChem CID131682967
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name1-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carbonyl]cyclopentane-1-carbonitrile
SMILESCc1cnnn1Cc1ncn2c1CN(C(=O)C1(C#N)CCCC1)CCC2
InChIInChI=1S/C18H23N7O/c1-14-9-21-22-25(14)10-15-16-11-23(7-4-8-24(16)13-20-15)17(26)18(12-19)5-2-3-6-18/h9,13H,2-8,10-11H2,1H3
InChIKeyJACKHXOYGBAMET-UHFFFAOYSA-N
XLogP1.65
TPSA92.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carbonyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carbonyl]cyclopentane-1-carbonitrile (CID 131682967) is 1-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carbonyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carbonyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carbonyl]cyclopentane-1-carbonitrile is Cc1cnnn1Cc1ncn2c1CN(C(=O)C1(C#N)CCCC1)CCC2.
What is the InChIKey of 1-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carbonyl]cyclopentane-1-carbonitrile?
The InChIKey is JACKHXOYGBAMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-14-9-21-22-25(14)10-15-16-11-23(7-4-8-24(16)13-20-15)17(26)18(12-19)5-2-3-6-18/h9,13H,2-8,10-11H2,1H3.
What are the key properties of 1-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carbonyl]cyclopentane-1-carbonitrile?
1-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carbonyl]cyclopentane-1-carbonitrile has a molecular weight of 353.43 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carbonyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 131682967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).