[1-(3-aminopropyl)triazol-4-yl]methanol

C6H12N4O — CID 62400531

IUPAC[1-(3-aminopropyl)triazol-4-yl]methanol
SMILESNCCCn1cc(CO)nn1
InChIInChI=1S/C6H12N4O/c7-2-1-3-10-4-6(5-11)8-9-10/h4,11H,1-3,5,7H2
InChIKeyYCIXVERENBRDBR-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.88
Rot. Bonds4

About [1-(3-aminopropyl)triazol-4-yl]methanol

[1-(3-aminopropyl)triazol-4-yl]methanol (PubChem CID 62400531) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is [1-(3-aminopropyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-aminopropyl)triazol-4-yl]methanol
PubChem CID62400531
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name[1-(3-aminopropyl)triazol-4-yl]methanol
SMILESNCCCn1cc(CO)nn1
InChIInChI=1S/C6H12N4O/c7-2-1-3-10-4-6(5-11)8-9-10/h4,11H,1-3,5,7H2
InChIKeyYCIXVERENBRDBR-UHFFFAOYSA-N
XLogP-0.88
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3-aminopropyl)triazol-4-yl]methanol?
The IUPAC name of [1-(3-aminopropyl)triazol-4-yl]methanol (CID 62400531) is [1-(3-aminopropyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(3-aminopropyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(3-aminopropyl)triazol-4-yl]methanol is NCCCn1cc(CO)nn1.
What is the InChIKey of [1-(3-aminopropyl)triazol-4-yl]methanol?
The InChIKey is YCIXVERENBRDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c7-2-1-3-10-4-6(5-11)8-9-10/h4,11H,1-3,5,7H2.
What are the key properties of [1-(3-aminopropyl)triazol-4-yl]methanol?
[1-(3-aminopropyl)triazol-4-yl]methanol has a molecular weight of 156.19 g/mol, XLogP of -0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-aminopropyl)triazol-4-yl]methanol is sourced from PubChem (CID 62400531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).