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

C16H19N7 — CID 118743742

IUPAC8-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
SMILESc1ccc(CN2Cc3nccn3CC(Cn3cncn3)C2)nc1
InChIInChI=1S/C16H19N7/c1-2-4-18-15(3-1)10-21-7-14(9-23-13-17-12-20-23)8-22-6-5-19-16(22)11-21/h1-6,12-14H,7-11H2
InChIKeyVIZPRZITKYRZRF-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.20
Rot. Bonds4

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

8-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine (PubChem CID 118743742) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 8-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine.

Molecular Properties

Compound Name8-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
PubChem CID118743742
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name8-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
SMILESc1ccc(CN2Cc3nccn3CC(Cn3cncn3)C2)nc1
InChIInChI=1S/C16H19N7/c1-2-4-18-15(3-1)10-21-7-14(9-23-13-17-12-20-23)8-22-6-5-19-16(22)11-21/h1-6,12-14H,7-11H2
InChIKeyVIZPRZITKYRZRF-UHFFFAOYSA-N
XLogP1.20
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
The IUPAC name of 8-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine (CID 118743742) is 8-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine.
What is the SMILES notation for 8-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
The canonical SMILES for 8-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine is c1ccc(CN2Cc3nccn3CC(Cn3cncn3)C2)nc1.
What is the InChIKey of 8-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
The InChIKey is VIZPRZITKYRZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-2-4-18-15(3-1)10-21-7-14(9-23-13-17-12-20-23)8-22-6-5-19-16(22)11-21/h1-6,12-14H,7-11H2.
What are the key properties of 8-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
8-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine has a molecular weight of 309.38 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine is sourced from PubChem (CID 118743742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).