(3-hydroxycyclobutyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone

C16H22N6O2 — CID 131687494

IUPAC(3-hydroxycyclobutyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
SMILESCc1cnnn1Cc1ncn2c1CN(C(=O)C1CC(O)C1)CCC2
InChIInChI=1S/C16H22N6O2/c1-11-7-18-19-22(11)8-14-15-9-20(3-2-4-21(15)10-17-14)16(24)12-5-13(23)6-12/h7,10,12-13,23H,2-6,8-9H2,1H3
InChIKeyAIZDYHOKFLYMSF-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.33
Rot. Bonds3

About (3-hydroxycyclobutyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone

(3-hydroxycyclobutyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone (PubChem CID 131687494) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is (3-hydroxycyclobutyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone.

Molecular Properties

Compound Name(3-hydroxycyclobutyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
PubChem CID131687494
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name(3-hydroxycyclobutyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
SMILESCc1cnnn1Cc1ncn2c1CN(C(=O)C1CC(O)C1)CCC2
InChIInChI=1S/C16H22N6O2/c1-11-7-18-19-22(11)8-14-15-9-20(3-2-4-21(15)10-17-14)16(24)12-5-13(23)6-12/h7,10,12-13,23H,2-6,8-9H2,1H3
InChIKeyAIZDYHOKFLYMSF-UHFFFAOYSA-N
XLogP0.33
TPSA89.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3-hydroxycyclobutyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone with MolForge

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Related Compounds

(4-methylcyclohexyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
CID 131682998
2-cyclopropyl-1-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone
CID 97405510
(5-cyclopropyl-1,2-oxazol-3-yl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
CID 131683013
1-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carbonyl]cyclopentane-1-carbonitrile
CID 131682967
(2-methyl-1,3-thiazol-4-yl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
CID 131682997
8-(3-hydroxycyclobutanecarbonyl)-N-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide;oxalic acid
CID 155870122
N-[[8-(oxolane-2-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide
CID 118740788
(3,5-difluorophenyl)-[1-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155854937
2-phenyl-1-[1-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155854351
(8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methanol;hydrochloride
CID 146675607
cyclopent-3-en-1-yl-[3-(pyrrol-1-ylmethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 134072035
pyrazolidin-3-yl-[1-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
CID 134072047

Frequently Asked Questions

What is the IUPAC name of (3-hydroxycyclobutyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
The IUPAC name of (3-hydroxycyclobutyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone (CID 131687494) is (3-hydroxycyclobutyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone.
What is the SMILES notation for (3-hydroxycyclobutyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
The canonical SMILES for (3-hydroxycyclobutyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone is Cc1cnnn1Cc1ncn2c1CN(C(=O)C1CC(O)C1)CCC2.
What is the InChIKey of (3-hydroxycyclobutyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
The InChIKey is AIZDYHOKFLYMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-11-7-18-19-22(11)8-14-15-9-20(3-2-4-21(15)10-17-14)16(24)12-5-13(23)6-12/h7,10,12-13,23H,2-6,8-9H2,1H3.
What are the key properties of (3-hydroxycyclobutyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
(3-hydroxycyclobutyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone has a molecular weight of 330.39 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxycyclobutyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone is sourced from PubChem (CID 131687494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).