(3,4-dimethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone

C11H17N3O — CID 65362935

IUPAC(3,4-dimethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESCC1CCC(C(=O)c2ncn[nH]2)CC1C
InChIInChI=1S/C11H17N3O/c1-7-3-4-9(5-8(7)2)10(15)11-12-6-13-14-11/h6-9H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyJUJOEORTLIEDHU-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.06
Rot. Bonds2

About (3,4-dimethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone

(3,4-dimethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 65362935) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID65362935
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(3,4-dimethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESCC1CCC(C(=O)c2ncn[nH]2)CC1C
InChIInChI=1S/C11H17N3O/c1-7-3-4-9(5-8(7)2)10(15)11-12-6-13-14-11/h6-9H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyJUJOEORTLIEDHU-UHFFFAOYSA-N
XLogP2.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone
CID 65363445
6-oxaspiro[4.5]decan-9-yl(1H-1,2,4-triazol-5-yl)methanone
CID 79921982
(3,4-dimethylcyclohexyl)-(4-methyl-2-pyridinyl)methanone
CID 64740028
N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
CID 2914105
(3,4-dimethylcyclohexyl)-(3-methylimidazol-4-yl)methanone
CID 82895467
N-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 67184534
(3,4-dimethylcyclohexyl)-(furan-2-yl)methanone
CID 64738417
(3-chloro-4-pyridinyl)-(3,4-dimethylcyclohexyl)methanone
CID 105105379
(3,4-dimethylcyclohexyl)-(5-iodothiophen-3-yl)methanone
CID 114975513
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 103440862
(2-tert-butylphenyl)-(3,4-dimethylcyclohexyl)methanone
CID 114975502
N-(2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
CID 130556518

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of (3,4-dimethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone (CID 65362935) is (3,4-dimethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for (3,4-dimethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone is CC1CCC(C(=O)c2ncn[nH]2)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is JUJOEORTLIEDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7-3-4-9(5-8(7)2)10(15)11-12-6-13-14-11/h6-9H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of (3,4-dimethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone?
(3,4-dimethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 207.28 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 65362935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).