(8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methanol;hydrochloride

C9H16ClN3O — CID 146675607

IUPAC(8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methanol;hydrochloride
SMILESCN1CCCn2cnc(CO)c2C1.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-11-3-2-4-12-7-10-8(6-13)9(12)5-11;/h7,13H,2-6H2,1H3;1H
InChIKeyUFIRMFKUPIWVSI-UHFFFAOYSA-N
MW217.70 g/mol
LogP0.63
Rot. Bonds1

About (8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methanol;hydrochloride

(8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methanol;hydrochloride (PubChem CID 146675607) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is (8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methanol;hydrochloride
PubChem CID146675607
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name(8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methanol;hydrochloride
SMILESCN1CCCn2cnc(CO)c2C1.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-11-3-2-4-12-7-10-8(6-13)9(12)5-11;/h7,13H,2-6H2,1H3;1H
InChIKeyUFIRMFKUPIWVSI-UHFFFAOYSA-N
XLogP0.63
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methanol;hydrochloride?
The IUPAC name of (8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methanol;hydrochloride (CID 146675607) is (8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methanol;hydrochloride.
What is the SMILES notation for (8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methanol;hydrochloride?
The canonical SMILES for (8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methanol;hydrochloride is CN1CCCn2cnc(CO)c2C1.Cl.
What is the InChIKey of (8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methanol;hydrochloride?
The InChIKey is UFIRMFKUPIWVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.ClH/c1-11-3-2-4-12-7-10-8(6-13)9(12)5-11;/h7,13H,2-6H2,1H3;1H.
What are the key properties of (8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methanol;hydrochloride?
(8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methanol;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methanol;hydrochloride is sourced from PubChem (CID 146675607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).