1-(3-methoxypropyl)-N-methyl-1,2,4-triazol-3-amine

C7H14N4O — CID 174340911

IUPAC1-(3-methoxypropyl)-N-methyl-1,2,4-triazol-3-amine
SMILESCNc1ncn(CCCOC)n1
InChIInChI=1S/C7H14N4O/c1-8-7-9-6-11(10-7)4-3-5-12-2/h6H,3-5H2,1-2H3,(H,8,10)
InChIKeyCPKJPCZCKPTWQS-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.36
Rot. Bonds5

About 1-(3-methoxypropyl)-N-methyl-1,2,4-triazol-3-amine

1-(3-methoxypropyl)-N-methyl-1,2,4-triazol-3-amine (PubChem CID 174340911) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-N-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-N-methyl-1,2,4-triazol-3-amine
PubChem CID174340911
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name1-(3-methoxypropyl)-N-methyl-1,2,4-triazol-3-amine
SMILESCNc1ncn(CCCOC)n1
InChIInChI=1S/C7H14N4O/c1-8-7-9-6-11(10-7)4-3-5-12-2/h6H,3-5H2,1-2H3,(H,8,10)
InChIKeyCPKJPCZCKPTWQS-UHFFFAOYSA-N
XLogP0.36
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.36
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-(3-methoxypropyl)-N-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 1-(3-methoxypropyl)-N-methyl-1,2,4-triazol-3-amine (CID 174340911) is 1-(3-methoxypropyl)-N-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(3-methoxypropyl)-N-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(3-methoxypropyl)-N-methyl-1,2,4-triazol-3-amine is CNc1ncn(CCCOC)n1.
What is the InChIKey of 1-(3-methoxypropyl)-N-methyl-1,2,4-triazol-3-amine?
The InChIKey is CPKJPCZCKPTWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-8-7-9-6-11(10-7)4-3-5-12-2/h6H,3-5H2,1-2H3,(H,8,10).
What are the key properties of 1-(3-methoxypropyl)-N-methyl-1,2,4-triazol-3-amine?
1-(3-methoxypropyl)-N-methyl-1,2,4-triazol-3-amine has a molecular weight of 170.22 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-N-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 174340911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).