(1-propan-2-yl-5-propyltriazol-4-yl)methanol

C9H17N3O — CID 82206806

IUPAC(1-propan-2-yl-5-propyltriazol-4-yl)methanol
SMILESCCCc1c(CO)nnn1C(C)C
InChIInChI=1S/C9H17N3O/c1-4-5-9-8(6-13)10-11-12(9)7(2)3/h7,13H,4-6H2,1-3H3
InChIKeyPCPYBDZRPHPUNC-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.30
Rot. Bonds4

About (1-propan-2-yl-5-propyltriazol-4-yl)methanol

(1-propan-2-yl-5-propyltriazol-4-yl)methanol (PubChem CID 82206806) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (1-propan-2-yl-5-propyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-propan-2-yl-5-propyltriazol-4-yl)methanol
PubChem CID82206806
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(1-propan-2-yl-5-propyltriazol-4-yl)methanol
SMILESCCCc1c(CO)nnn1C(C)C
InChIInChI=1S/C9H17N3O/c1-4-5-9-8(6-13)10-11-12(9)7(2)3/h7,13H,4-6H2,1-3H3
InChIKeyPCPYBDZRPHPUNC-UHFFFAOYSA-N
XLogP1.30
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4H,5H,6H-pyrrolo(1,2-c)(1,2,3)triazol-3-yl)methanol
CID 360881
[5-Propyl-1-(1,1,1-trifluoropropan-2-yl)-1h-1,2,3-triazol-4-yl]methanol
CID 164663716
[5-cyclobutyl-1-(2,2,2-trifluoroethyl)-1H-1,2,3-triazol-4-yl]methanol
CID 165590565
[5-cyclopropyl-1-(1,1,1-trifluoropropan-2-yl)-1H-1,2,3-triazol-4-yl]methanol
CID 165590803
[5-cyclobutyl-1-(1,1,1-trifluoropropan-2-yl)-1H-1,2,3-triazol-4-yl]methanol
CID 165590848
[5-(3-methylbutyl)-1-(1,1,1-trifluoropropan-2-yl)-1H-1,2,3-triazol-4-yl]methanol
CID 165591083
[5-propyl-1-(2,2,2-trifluoroethyl)-1H-1,2,3-triazol-4-yl]methanol
CID 165592715
[5-ethyl-1-(2,2,2-trifluoroethyl)-1H-1,2,3-triazol-4-yl]methanol
CID 165592845
[5-ethyl-1-(1,1,1-trifluoropropan-2-yl)-1H-1,2,3-triazol-4-yl]methanol
CID 165598940
[5-cyclopropyl-1-(2,2,2-trifluoroethyl)-1H-1,2,3-triazol-4-yl]methanol
CID 165598949
[5-cyclopropyl-1-(2,2-difluoroethyl)-1H-1,2,3-triazol-4-yl]methanol
CID 165598950
[1-(2,2-difluoroethyl)-5-(3-methylbutyl)-1H-1,2,3-triazol-4-yl]methanol
CID 165598962

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-yl-5-propyltriazol-4-yl)methanol?
The IUPAC name of (1-propan-2-yl-5-propyltriazol-4-yl)methanol (CID 82206806) is (1-propan-2-yl-5-propyltriazol-4-yl)methanol.
What is the SMILES notation for (1-propan-2-yl-5-propyltriazol-4-yl)methanol?
The canonical SMILES for (1-propan-2-yl-5-propyltriazol-4-yl)methanol is CCCc1c(CO)nnn1C(C)C.
What is the InChIKey of (1-propan-2-yl-5-propyltriazol-4-yl)methanol?
The InChIKey is PCPYBDZRPHPUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-5-9-8(6-13)10-11-12(9)7(2)3/h7,13H,4-6H2,1-3H3.
What are the key properties of (1-propan-2-yl-5-propyltriazol-4-yl)methanol?
(1-propan-2-yl-5-propyltriazol-4-yl)methanol has a molecular weight of 183.25 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 (1-propan-2-yl-5-propyltriazol-4-yl)methanol is sourced from PubChem (CID 82206806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).