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

C19H28N6O — CID 131682998

IUPAC(4-methylcyclohexyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
SMILESCc1cnnn1Cc1ncn2c1CN(C(=O)C1CCC(C)CC1)CCC2
InChIInChI=1S/C19H28N6O/c1-14-4-6-16(7-5-14)19(26)23-8-3-9-24-13-20-17(18(24)12-23)11-25-15(2)10-21-22-25/h10,13-14,16H,3-9,11-12H2,1-2H3
InChIKeySNUFSDAZUUTXGU-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.39
Rot. Bonds3

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

(4-methylcyclohexyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone (PubChem CID 131682998) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is (4-methylcyclohexyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone.

Molecular Properties

Compound Name(4-methylcyclohexyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
PubChem CID131682998
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name(4-methylcyclohexyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
SMILESCc1cnnn1Cc1ncn2c1CN(C(=O)C1CCC(C)CC1)CCC2
InChIInChI=1S/C19H28N6O/c1-14-4-6-16(7-5-14)19(26)23-8-3-9-24-13-20-17(18(24)12-23)11-25-15(2)10-21-22-25/h10,13-14,16H,3-9,11-12H2,1-2H3
InChIKeySNUFSDAZUUTXGU-UHFFFAOYSA-N
XLogP2.39
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methylcyclohexyl)-[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

(3-hydroxycyclobutyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
CID 131687494
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
N-[[8-(oxolane-2-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide
CID 118740788
cyclopropyl-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110872601
(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
cyclopropyl-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110872742
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-(3-hydroxycyclobutanecarbonyl)-N-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide;oxalic acid
CID 155870122
(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone
CID 114685710

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
The IUPAC name of (4-methylcyclohexyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone (CID 131682998) is (4-methylcyclohexyl)-[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 (4-methylcyclohexyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
The canonical SMILES for (4-methylcyclohexyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone is Cc1cnnn1Cc1ncn2c1CN(C(=O)C1CCC(C)CC1)CCC2.
What is the InChIKey of (4-methylcyclohexyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
The InChIKey is SNUFSDAZUUTXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-14-4-6-16(7-5-14)19(26)23-8-3-9-24-13-20-17(18(24)12-23)11-25-15(2)10-21-22-25/h10,13-14,16H,3-9,11-12H2,1-2H3.
What are the key properties of (4-methylcyclohexyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
(4-methylcyclohexyl)-[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 356.47 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-[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 131682998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).