(1-propyl-1,2,4-triazol-3-yl)methanol

C6H11N3O — CID 18361799

IUPAC(1-propyl-1,2,4-triazol-3-yl)methanol
SMILESCCCn1cnc(CO)n1
InChIInChI=1S/C6H11N3O/c1-2-3-9-5-7-6(4-10)8-9/h5,10H,2-4H2,1H3
InChIKeyVPUXNLAGWDWLEN-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.18
Rot. Bonds3

About (1-propyl-1,2,4-triazol-3-yl)methanol

(1-propyl-1,2,4-triazol-3-yl)methanol (PubChem CID 18361799) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is (1-propyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(1-propyl-1,2,4-triazol-3-yl)methanol
PubChem CID18361799
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name(1-propyl-1,2,4-triazol-3-yl)methanol
SMILESCCCn1cnc(CO)n1
InChIInChI=1S/C6H11N3O/c1-2-3-9-5-7-6(4-10)8-9/h5,10H,2-4H2,1H3
InChIKeyVPUXNLAGWDWLEN-UHFFFAOYSA-N
XLogP0.18
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-propyl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (1-propyl-1,2,4-triazol-3-yl)methanol (CID 18361799) is (1-propyl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (1-propyl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (1-propyl-1,2,4-triazol-3-yl)methanol is CCCn1cnc(CO)n1.
What is the InChIKey of (1-propyl-1,2,4-triazol-3-yl)methanol?
The InChIKey is VPUXNLAGWDWLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-2-3-9-5-7-6(4-10)8-9/h5,10H,2-4H2,1H3.
What are the key properties of (1-propyl-1,2,4-triazol-3-yl)methanol?
(1-propyl-1,2,4-triazol-3-yl)methanol has a molecular weight of 141.17 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 18361799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).