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

C7H14N4 — CID 61387171

IUPACN-ethyl-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESCCNCCCn1cncn1
InChIInChI=1S/C7H14N4/c1-2-8-4-3-5-11-7-9-6-10-11/h6-8H,2-5H2,1H3
InChIKeyBCSZCKTZXRRNAQ-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.28
Rot. Bonds5

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

N-ethyl-3-(1,2,4-triazol-1-yl)propan-1-amine (PubChem CID 61387171) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is N-ethyl-3-(1,2,4-triazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(1,2,4-triazol-1-yl)propan-1-amine
PubChem CID61387171
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC NameN-ethyl-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESCCNCCCn1cncn1
InChIInChI=1S/C7H14N4/c1-2-8-4-3-5-11-7-9-6-10-11/h6-8H,2-5H2,1H3
InChIKeyBCSZCKTZXRRNAQ-UHFFFAOYSA-N
XLogP0.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.28
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-ethyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-(1,2,4-triazol-1-yl)propan-1-amine (CID 61387171) is N-ethyl-3-(1,2,4-triazol-1-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(1,2,4-triazol-1-yl)propan-1-amine is CCNCCCn1cncn1.
What is the InChIKey of N-ethyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
The InChIKey is BCSZCKTZXRRNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-2-8-4-3-5-11-7-9-6-10-11/h6-8H,2-5H2,1H3.
What are the key properties of N-ethyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
N-ethyl-3-(1,2,4-triazol-1-yl)propan-1-amine has a molecular weight of 154.22 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1,2,4-triazol-1-yl)propan-1-amine is sourced from PubChem (CID 61387171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).