1-(propoxymethyl)-1,2,4-triazol-3-amine

C6H12N4O — CID 165465664

IUPAC1-(propoxymethyl)-1,2,4-triazol-3-amine
SMILESCCCOCn1cnc(N)n1
InChIInChI=1S/C6H12N4O/c1-2-3-11-5-10-4-8-6(7)9-10/h4H,2-3,5H2,1H3,(H2,7,9)
InChIKeyZVMMHXFILCHGHI-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.24
Rot. Bonds4

About 1-(propoxymethyl)-1,2,4-triazol-3-amine

1-(propoxymethyl)-1,2,4-triazol-3-amine (PubChem CID 165465664) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-(propoxymethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(propoxymethyl)-1,2,4-triazol-3-amine
PubChem CID165465664
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name1-(propoxymethyl)-1,2,4-triazol-3-amine
SMILESCCCOCn1cnc(N)n1
InChIInChI=1S/C6H12N4O/c1-2-3-11-5-10-4-8-6(7)9-10/h4H,2-3,5H2,1H3,(H2,7,9)
InChIKeyZVMMHXFILCHGHI-UHFFFAOYSA-N
XLogP0.24
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(propoxymethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(propoxymethyl)-1,2,4-triazol-3-amine (CID 165465664) is 1-(propoxymethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(propoxymethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(propoxymethyl)-1,2,4-triazol-3-amine is CCCOCn1cnc(N)n1.
What is the InChIKey of 1-(propoxymethyl)-1,2,4-triazol-3-amine?
The InChIKey is ZVMMHXFILCHGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-2-3-11-5-10-4-8-6(7)9-10/h4H,2-3,5H2,1H3,(H2,7,9).
What are the key properties of 1-(propoxymethyl)-1,2,4-triazol-3-amine?
1-(propoxymethyl)-1,2,4-triazol-3-amine has a molecular weight of 156.19 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propoxymethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 165465664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).