2,3,5,6-tetrahydro-1H-imidazo[1,5-a][1,4]diazepine-1-carboxamide

C8H12N4O — CID 140537733

IUPAC2,3,5,6-tetrahydro-1H-imidazo[1,5-a][1,4]diazepine-1-carboxamide
SMILESNC(=O)C1NCN2CCC=NC=C12
InChIInChI=1S/C8H12N4O/c9-8(13)7-6-4-10-2-1-3-12(6)5-11-7/h2,4,7,11H,1,3,5H2,(H2,9,13)
InChIKeyCFNZJTARCGWPGE-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.98
Rot. Bonds1

About 2,3,5,6-tetrahydro-1H-imidazo[1,5-a][1,4]diazepine-1-carboxamide

2,3,5,6-tetrahydro-1H-imidazo[1,5-a][1,4]diazepine-1-carboxamide (PubChem CID 140537733) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 2,3,5,6-tetrahydro-1H-imidazo[1,5-a][1,4]diazepine-1-carboxamide.

Molecular Properties

Compound Name2,3,5,6-tetrahydro-1H-imidazo[1,5-a][1,4]diazepine-1-carboxamide
PubChem CID140537733
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name2,3,5,6-tetrahydro-1H-imidazo[1,5-a][1,4]diazepine-1-carboxamide
SMILESNC(=O)C1NCN2CCC=NC=C12
InChIInChI=1S/C8H12N4O/c9-8(13)7-6-4-10-2-1-3-12(6)5-11-7/h2,4,7,11H,1,3,5H2,(H2,9,13)
InChIKeyCFNZJTARCGWPGE-UHFFFAOYSA-N
XLogP-0.98
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3,5-Tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide
CID 89786556
N-methyl-1,2,3,5-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide
CID 143707543

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrahydro-1H-imidazo[1,5-a][1,4]diazepine-1-carboxamide?
The IUPAC name of 2,3,5,6-tetrahydro-1H-imidazo[1,5-a][1,4]diazepine-1-carboxamide (CID 140537733) is 2,3,5,6-tetrahydro-1H-imidazo[1,5-a][1,4]diazepine-1-carboxamide.
What is the SMILES notation for 2,3,5,6-tetrahydro-1H-imidazo[1,5-a][1,4]diazepine-1-carboxamide?
The canonical SMILES for 2,3,5,6-tetrahydro-1H-imidazo[1,5-a][1,4]diazepine-1-carboxamide is NC(=O)C1NCN2CCC=NC=C12.
What is the InChIKey of 2,3,5,6-tetrahydro-1H-imidazo[1,5-a][1,4]diazepine-1-carboxamide?
The InChIKey is CFNZJTARCGWPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c9-8(13)7-6-4-10-2-1-3-12(6)5-11-7/h2,4,7,11H,1,3,5H2,(H2,9,13).
What are the key properties of 2,3,5,6-tetrahydro-1H-imidazo[1,5-a][1,4]diazepine-1-carboxamide?
2,3,5,6-tetrahydro-1H-imidazo[1,5-a][1,4]diazepine-1-carboxamide has a molecular weight of 180.21 g/mol, XLogP of -0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrahydro-1H-imidazo[1,5-a][1,4]diazepine-1-carboxamide is sourced from PubChem (CID 140537733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).