6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepin-1-ylmethanol

C8H13N3O — CID 129361257

IUPAC6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepin-1-ylmethanol
SMILESOCc1ncn2c1CNCCC2
InChIInChI=1S/C8H13N3O/c12-5-7-8-4-9-2-1-3-11(8)6-10-7/h6,9,12H,1-5H2
InChIKeyGMXXYZDQIVKNDM-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.13
Rot. Bonds1

About 6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepin-1-ylmethanol

6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepin-1-ylmethanol (PubChem CID 129361257) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepin-1-ylmethanol.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepin-1-ylmethanol
PubChem CID129361257
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepin-1-ylmethanol
SMILESOCc1ncn2c1CNCCC2
InChIInChI=1S/C8H13N3O/c12-5-7-8-4-9-2-1-3-11(8)6-10-7/h6,9,12H,1-5H2
InChIKeyGMXXYZDQIVKNDM-UHFFFAOYSA-N
XLogP-0.13
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepin-1-ylmethanol?
The IUPAC name of 6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepin-1-ylmethanol (CID 129361257) is 6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepin-1-ylmethanol.
What is the SMILES notation for 6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepin-1-ylmethanol?
The canonical SMILES for 6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepin-1-ylmethanol is OCc1ncn2c1CNCCC2.
What is the InChIKey of 6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepin-1-ylmethanol?
The InChIKey is GMXXYZDQIVKNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c12-5-7-8-4-9-2-1-3-11(8)6-10-7/h6,9,12H,1-5H2.
What are the key properties of 6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepin-1-ylmethanol?
6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepin-1-ylmethanol has a molecular weight of 167.21 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepin-1-ylmethanol is sourced from PubChem (CID 129361257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).