[5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanol

C11H17N3O — CID 103167570

IUPAC[5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanol
SMILESOCc1nnc(CC2CCC2)n1C1CC1
InChIInChI=1S/C11H17N3O/c15-7-11-13-12-10(6-8-2-1-3-8)14(11)9-4-5-9/h8-9,15H,1-7H2
InChIKeyGPFRCNOYSKFESL-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.45
Rot. Bonds4

About [5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanol

[5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanol (PubChem CID 103167570) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is [5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanol
PubChem CID103167570
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name[5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanol
SMILESOCc1nnc(CC2CCC2)n1C1CC1
InChIInChI=1S/C11H17N3O/c15-7-11-13-12-10(6-8-2-1-3-8)14(11)9-4-5-9/h8-9,15H,1-7H2
InChIKeyGPFRCNOYSKFESL-UHFFFAOYSA-N
XLogP1.45
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-Cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl-ethylamino]-2-methylpropan-1-ol
CID 86797421
2-[3-tert-butyl-5-[(2S)-spiro[2.3]hexan-2-yl]-1,2,4-triazol-1-yl]ethanol
CID 97436286
[4-Propan-2-yl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934490
[5-(4,4-Difluorocyclohexyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 81934511
[4-Cyclopropyl-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934529
[4-Cyclopropyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934550
[4-Cyclopropyl-5-(4,4-difluorocyclohexyl)-1,2,4-triazol-3-yl]methanol
CID 81934572
[4-Cyclopropyl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 104622975
[5-(3,3-Difluorocyclopentyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 114226801
[4-Cyclopropyl-5-(3,3-difluorocyclohexyl)-1,2,4-triazol-3-yl]methanol
CID 114226802
[4-Cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol
CID 130561798
[5-(3,3-Difluorocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 130979287

Frequently Asked Questions

What is the IUPAC name of [5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanol (CID 103167570) is [5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanol is OCc1nnc(CC2CCC2)n1C1CC1.
What is the InChIKey of [5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is GPFRCNOYSKFESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c15-7-11-13-12-10(6-8-2-1-3-8)14(11)9-4-5-9/h8-9,15H,1-7H2.
What are the key properties of [5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanol?
[5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 207.28 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103167570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).