6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide

C11H15N7O — CID 131663422

IUPAC6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
SMILESNC(=O)N1Cc2nccn2CC(Cn2cncn2)C1
InChIInChI=1S/C11H15N7O/c12-11(19)17-4-9(5-18-8-13-7-15-18)3-16-2-1-14-10(16)6-17/h1-2,7-9H,3-6H2,(H2,12,19)
InChIKeyUUVHXMDTTFVUQT-UHFFFAOYSA-N
MW261.29 g/mol
LogP-0.31
Rot. Bonds2

About 6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide

6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide (PubChem CID 131663422) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide.

Molecular Properties

Compound Name6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
PubChem CID131663422
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
SMILESNC(=O)N1Cc2nccn2CC(Cn2cncn2)C1
InChIInChI=1S/C11H15N7O/c12-11(19)17-4-9(5-18-8-13-7-15-18)3-16-2-1-14-10(16)6-17/h1-2,7-9H,3-6H2,(H2,12,19)
InChIKeyUUVHXMDTTFVUQT-UHFFFAOYSA-N
XLogP-0.31
TPSA94.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
The IUPAC name of 6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide (CID 131663422) is 6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide.
What is the SMILES notation for 6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
The canonical SMILES for 6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide is NC(=O)N1Cc2nccn2CC(Cn2cncn2)C1.
What is the InChIKey of 6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
The InChIKey is UUVHXMDTTFVUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c12-11(19)17-4-9(5-18-8-13-7-15-18)3-16-2-1-14-10(16)6-17/h1-2,7-9H,3-6H2,(H2,12,19).
What are the key properties of 6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide has a molecular weight of 261.29 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide is sourced from PubChem (CID 131663422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).