1-[3-(hydroxyamino)-1,2,4-triazol-1-yl]propan-2-ol

C5H10N4O2 — CID 143790978

IUPAC1-[3-(hydroxyamino)-1,2,4-triazol-1-yl]propan-2-ol
SMILESCC(O)Cn1cnc(NO)n1
InChIInChI=1S/C5H10N4O2/c1-4(10)2-9-3-6-5(7-9)8-11/h3-4,10-11H,2H2,1H3,(H,7,8)
InChIKeyDUZXTRWPTJQFKR-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.54
Rot. Bonds3

About 1-[3-(hydroxyamino)-1,2,4-triazol-1-yl]propan-2-ol

1-[3-(hydroxyamino)-1,2,4-triazol-1-yl]propan-2-ol (PubChem CID 143790978) has the molecular formula C5H10N4O2 and a molecular weight of 158.16 g/mol. Its IUPAC name is 1-[3-(hydroxyamino)-1,2,4-triazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[3-(hydroxyamino)-1,2,4-triazol-1-yl]propan-2-ol
PubChem CID143790978
Molecular FormulaC5H10N4O2
Molecular Weight158.16 g/mol
Exact Mass158.08
IUPAC Name1-[3-(hydroxyamino)-1,2,4-triazol-1-yl]propan-2-ol
SMILESCC(O)Cn1cnc(NO)n1
InChIInChI=1S/C5H10N4O2/c1-4(10)2-9-3-6-5(7-9)8-11/h3-4,10-11H,2H2,1H3,(H,7,8)
InChIKeyDUZXTRWPTJQFKR-UHFFFAOYSA-N
XLogP-0.54
TPSA83.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxyamino)-1,2,4-triazol-1-yl]propan-2-ol?
The IUPAC name of 1-[3-(hydroxyamino)-1,2,4-triazol-1-yl]propan-2-ol (CID 143790978) is 1-[3-(hydroxyamino)-1,2,4-triazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[3-(hydroxyamino)-1,2,4-triazol-1-yl]propan-2-ol?
The canonical SMILES for 1-[3-(hydroxyamino)-1,2,4-triazol-1-yl]propan-2-ol is CC(O)Cn1cnc(NO)n1.
What is the InChIKey of 1-[3-(hydroxyamino)-1,2,4-triazol-1-yl]propan-2-ol?
The InChIKey is DUZXTRWPTJQFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2/c1-4(10)2-9-3-6-5(7-9)8-11/h3-4,10-11H,2H2,1H3,(H,7,8).
What are the key properties of 1-[3-(hydroxyamino)-1,2,4-triazol-1-yl]propan-2-ol?
1-[3-(hydroxyamino)-1,2,4-triazol-1-yl]propan-2-ol has a molecular weight of 158.16 g/mol, XLogP of -0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxyamino)-1,2,4-triazol-1-yl]propan-2-ol is sourced from PubChem (CID 143790978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).