3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol

C5H10N4O — CID 2060087

IUPAC3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol
SMILESNc1n[nH]c(CCCO)n1
InChIInChI=1S/C5H10N4O/c6-5-7-4(8-9-5)2-1-3-10/h10H,1-3H2,(H3,6,7,8,9)
InChIKeyJCYHSFGSMIVOPG-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.69
Rot. Bonds3

About 3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol

3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol (PubChem CID 2060087) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol
PubChem CID2060087
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol
SMILESNc1n[nH]c(CCCO)n1
InChIInChI=1S/C5H10N4O/c6-5-7-4(8-9-5)2-1-3-10/h10H,1-3H2,(H3,6,7,8,9)
InChIKeyJCYHSFGSMIVOPG-UHFFFAOYSA-N
XLogP-0.69
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol?
The IUPAC name of 3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol (CID 2060087) is 3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol?
The canonical SMILES for 3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol is Nc1n[nH]c(CCCO)n1.
What is the InChIKey of 3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol?
The InChIKey is JCYHSFGSMIVOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c6-5-7-4(8-9-5)2-1-3-10/h10H,1-3H2,(H3,6,7,8,9).
What are the key properties of 3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol?
3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol has a molecular weight of 142.16 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol is sourced from PubChem (CID 2060087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).