(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanol

C8H13N3O — CID 71758561

IUPAC(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanol
SMILESCn1c(CO)nnc1C1CCC1
InChIInChI=1S/C8H13N3O/c1-11-7(5-12)9-10-8(11)6-3-2-4-6/h6,12H,2-5H2,1H3
InChIKeyQCNUFJQHEPOZQT-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.57
Rot. Bonds2

About (5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanol

(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanol (PubChem CID 71758561) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanol
PubChem CID71758561
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanol
SMILESCn1c(CO)nnc1C1CCC1
InChIInChI=1S/C8H13N3O/c1-11-7(5-12)9-10-8(11)6-3-2-4-6/h6,12H,2-5H2,1H3
InChIKeyQCNUFJQHEPOZQT-UHFFFAOYSA-N
XLogP0.57
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 53613687
(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757591
(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757969
2-[(5-Cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl-ethylamino]-2-methylpropan-1-ol
CID 86797421
(4-methyl-5-{[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl}-4H-1,2,4-triazol-3-yl)methanol
CID 50948143
[5-(4,4-Difluorocyclohexyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 81934984
[4-Ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol
CID 103311292
[5-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 103311293
[5-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 103311295
[5-(3,3-Difluorocyclopentyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 114226805
[4-Ethyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methanol
CID 115396648
[4-Propyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methanol
CID 115396813

Frequently Asked Questions

What is the IUPAC name of (5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanol (CID 71758561) is (5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanol is Cn1c(CO)nnc1C1CCC1.
What is the InChIKey of (5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanol?
The InChIKey is QCNUFJQHEPOZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-11-7(5-12)9-10-8(11)6-3-2-4-6/h6,12H,2-5H2,1H3.
What are the key properties of (5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanol?
(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanol has a molecular weight of 167.21 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 71758561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).