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

C6H12N4 — CID 61387140

IUPACN-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESCNCCCn1cncn1
InChIInChI=1S/C6H12N4/c1-7-3-2-4-10-6-8-5-9-10/h5-7H,2-4H2,1H3
InChIKeyXGCYFVUZFFZBHI-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.11
Rot. Bonds4

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

N-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine (PubChem CID 61387140) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is N-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine
PubChem CID61387140
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC NameN-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESCNCCCn1cncn1
InChIInChI=1S/C6H12N4/c1-7-3-2-4-10-6-8-5-9-10/h5-7H,2-4H2,1H3
InChIKeyXGCYFVUZFFZBHI-UHFFFAOYSA-N
XLogP-0.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine (CID 61387140) is N-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine is CNCCCn1cncn1.
What is the InChIKey of N-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
The InChIKey is XGCYFVUZFFZBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-7-3-2-4-10-6-8-5-9-10/h5-7H,2-4H2,1H3.
What are the key properties of N-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
N-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine has a molecular weight of 140.19 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine is sourced from PubChem (CID 61387140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).