[5-(cyclopropylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol

C10H17N3O — CID 115396195

IUPAC[5-(cyclopropylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
SMILESCC(C)n1c(CO)nnc1CC1CC1
InChIInChI=1S/C10H17N3O/c1-7(2)13-9(5-8-3-4-8)11-12-10(13)6-14/h7-8,14H,3-6H2,1-2H3
InChIKeyKFMIJHDGDFIXJM-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.30
Rot. Bonds4

About [5-(cyclopropylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol

[5-(cyclopropylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol (PubChem CID 115396195) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is [5-(cyclopropylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(cyclopropylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
PubChem CID115396195
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name[5-(cyclopropylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
SMILESCC(C)n1c(CO)nnc1CC1CC1
InChIInChI=1S/C10H17N3O/c1-7(2)13-9(5-8-3-4-8)11-12-10(13)6-14/h7-8,14H,3-6H2,1-2H3
InChIKeyKFMIJHDGDFIXJM-UHFFFAOYSA-N
XLogP1.30
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(chloromethyl)-5-(cycloheptylmethyl)-4-propan-2-yl-1,2,4-triazole
CID 114459446
[5-(methoxymethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 115396085
[5-(methylsulfonylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 115396078
(5-methoxy-4-propan-2-yl-1,2,4-triazol-3-yl)methanol
CID 115396143
[5-(1,1-dioxothiolan-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 115396092
[5-(3,3-difluorocyclopentyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 114226801
[4-tert-butyl-5-(cyclobutylmethyl)-1,2,4-triazol-3-yl]methanol
CID 103167572
[5-(2,3,4,5,6-pentafluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 115396152
[4-propan-2-yl-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 115396232
(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol
CID 115396305
[5-[(3,4-difluorophenyl)methyl]-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 115396125
[5-(2-cyclohexylethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine
CID 112593083

Frequently Asked Questions

What is the IUPAC name of [5-(cyclopropylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(cyclopropylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol (CID 115396195) is [5-(cyclopropylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(cyclopropylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(cyclopropylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol is CC(C)n1c(CO)nnc1CC1CC1.
What is the InChIKey of [5-(cyclopropylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The InChIKey is KFMIJHDGDFIXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)13-9(5-8-3-4-8)11-12-10(13)6-14/h7-8,14H,3-6H2,1-2H3.
What are the key properties of [5-(cyclopropylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
[5-(cyclopropylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol has a molecular weight of 195.27 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopropylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115396195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).