(1-hydroxycyclohexyl)-(3-methyltriazol-4-yl)methanone

C10H15N3O2 — CID 103449684

IUPAC(1-hydroxycyclohexyl)-(3-methyltriazol-4-yl)methanone
SMILESCn1nncc1C(=O)C1(O)CCCCC1
InChIInChI=1S/C10H15N3O2/c1-13-8(7-11-12-13)9(14)10(15)5-3-2-4-6-10/h7,15H,2-6H2,1H3
InChIKeyURIHVPUJJSSCKN-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.69
Rot. Bonds2

About (1-hydroxycyclohexyl)-(3-methyltriazol-4-yl)methanone

(1-hydroxycyclohexyl)-(3-methyltriazol-4-yl)methanone (PubChem CID 103449684) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is (1-hydroxycyclohexyl)-(3-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(1-hydroxycyclohexyl)-(3-methyltriazol-4-yl)methanone
PubChem CID103449684
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name(1-hydroxycyclohexyl)-(3-methyltriazol-4-yl)methanone
SMILESCn1nncc1C(=O)C1(O)CCCCC1
InChIInChI=1S/C10H15N3O2/c1-13-8(7-11-12-13)9(14)10(15)5-3-2-4-6-10/h7,15H,2-6H2,1H3
InChIKeyURIHVPUJJSSCKN-UHFFFAOYSA-N
XLogP0.69
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(methylamino)cyclopentyl]-(3-methyltriazol-4-yl)methanone
CID 130573835
(1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methanone
CID 114686224
(1-hydroxycyclopentyl)-(2-methylpyrazol-3-yl)methanone
CID 103447816
(3-methyltriazol-4-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 114692008
3-methyltriazole-4-carbonyl chloride
CID 119095890
(4-chloro-1-methylpyrazol-5-yl)-(1-hydroxycycloheptyl)methanone
CID 103450346
(1-methoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanone
CID 114686283
cyclobutyl-(3-methyltriazol-4-yl)methanone
CID 114685839
2-cyclohexylidene-1-(3-methyltriazol-4-yl)ethanone
CID 103457863
(1-hydroxycyclopentyl)-(1-methyltriazol-4-yl)methanone
CID 130602609
1-(3-methyltriazol-4-yl)propan-1-one
CID 114685623
[1-(dimethylamino)cyclohexyl]-(3-propyltriazol-4-yl)methanone
CID 114685998

Frequently Asked Questions

What is the IUPAC name of (1-hydroxycyclohexyl)-(3-methyltriazol-4-yl)methanone?
The IUPAC name of (1-hydroxycyclohexyl)-(3-methyltriazol-4-yl)methanone (CID 103449684) is (1-hydroxycyclohexyl)-(3-methyltriazol-4-yl)methanone.
What is the SMILES notation for (1-hydroxycyclohexyl)-(3-methyltriazol-4-yl)methanone?
The canonical SMILES for (1-hydroxycyclohexyl)-(3-methyltriazol-4-yl)methanone is Cn1nncc1C(=O)C1(O)CCCCC1.
What is the InChIKey of (1-hydroxycyclohexyl)-(3-methyltriazol-4-yl)methanone?
The InChIKey is URIHVPUJJSSCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-8(7-11-12-13)9(14)10(15)5-3-2-4-6-10/h7,15H,2-6H2,1H3.
What are the key properties of (1-hydroxycyclohexyl)-(3-methyltriazol-4-yl)methanone?
(1-hydroxycyclohexyl)-(3-methyltriazol-4-yl)methanone has a molecular weight of 209.25 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycyclohexyl)-(3-methyltriazol-4-yl)methanone is sourced from PubChem (CID 103449684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).