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

C6H12N4 — CID 146259067

IUPACN-methyl-3-(2H-triazol-4-yl)propan-1-amine
SMILESCNCCCc1cn[nH]n1
InChIInChI=1S/C6H12N4/c1-7-4-2-3-6-5-8-10-9-6/h5,7H,2-4H2,1H3,(H,8,9,10)
InChIKeyKWWPPUVFBGHTRY-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.04
Rot. Bonds4

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

N-methyl-3-(2H-triazol-4-yl)propan-1-amine (PubChem CID 146259067) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is N-methyl-3-(2H-triazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2H-triazol-4-yl)propan-1-amine
PubChem CID146259067
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC NameN-methyl-3-(2H-triazol-4-yl)propan-1-amine
SMILESCNCCCc1cn[nH]n1
InChIInChI=1S/C6H12N4/c1-7-4-2-3-6-5-8-10-9-6/h5,7H,2-4H2,1H3,(H,8,9,10)
InChIKeyKWWPPUVFBGHTRY-UHFFFAOYSA-N
XLogP-0.04
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2H-triazol-4-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(2H-triazol-4-yl)propan-1-amine (CID 146259067) is N-methyl-3-(2H-triazol-4-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(2H-triazol-4-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(2H-triazol-4-yl)propan-1-amine is CNCCCc1cn[nH]n1.
What is the InChIKey of N-methyl-3-(2H-triazol-4-yl)propan-1-amine?
The InChIKey is KWWPPUVFBGHTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-7-4-2-3-6-5-8-10-9-6/h5,7H,2-4H2,1H3,(H,8,9,10).
What are the key properties of N-methyl-3-(2H-triazol-4-yl)propan-1-amine?
N-methyl-3-(2H-triazol-4-yl)propan-1-amine has a molecular weight of 140.19 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2H-triazol-4-yl)propan-1-amine is sourced from PubChem (CID 146259067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).