(1-propan-2-yltriazol-4-yl)methanol

C6H11N3O — CID 62402024

IUPAC(1-propan-2-yltriazol-4-yl)methanol
SMILESCC(C)n1cc(CO)nn1
InChIInChI=1S/C6H11N3O/c1-5(2)9-3-6(4-10)7-8-9/h3,5,10H,4H2,1-2H3
InChIKeyVWUSXTIUSAVEAQ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.35
Rot. Bonds2

About (1-propan-2-yltriazol-4-yl)methanol

(1-propan-2-yltriazol-4-yl)methanol (PubChem CID 62402024) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is (1-propan-2-yltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-propan-2-yltriazol-4-yl)methanol
PubChem CID62402024
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name(1-propan-2-yltriazol-4-yl)methanol
SMILESCC(C)n1cc(CO)nn1
InChIInChI=1S/C6H11N3O/c1-5(2)9-3-6(4-10)7-8-9/h3,5,10H,4H2,1-2H3
InChIKeyVWUSXTIUSAVEAQ-UHFFFAOYSA-N
XLogP0.35
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-yltriazol-4-yl)methanol?
The IUPAC name of (1-propan-2-yltriazol-4-yl)methanol (CID 62402024) is (1-propan-2-yltriazol-4-yl)methanol.
What is the SMILES notation for (1-propan-2-yltriazol-4-yl)methanol?
The canonical SMILES for (1-propan-2-yltriazol-4-yl)methanol is CC(C)n1cc(CO)nn1.
What is the InChIKey of (1-propan-2-yltriazol-4-yl)methanol?
The InChIKey is VWUSXTIUSAVEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5(2)9-3-6(4-10)7-8-9/h3,5,10H,4H2,1-2H3.
What are the key properties of (1-propan-2-yltriazol-4-yl)methanol?
(1-propan-2-yltriazol-4-yl)methanol has a molecular weight of 141.17 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-yltriazol-4-yl)methanol is sourced from PubChem (CID 62402024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).