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

C10H20N4O — CID 62563652

IUPACN-(3-ethoxypropyl)-2-(1,2,4-triazol-1-yl)propan-1-amine
SMILESCCOCCCNCC(C)n1cncn1
InChIInChI=1S/C10H20N4O/c1-3-15-6-4-5-11-7-10(2)14-9-12-8-13-14/h8-11H,3-7H2,1-2H3
InChIKeySKCOBTMKHKXIRD-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.86
Rot. Bonds8

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

N-(3-ethoxypropyl)-2-(1,2,4-triazol-1-yl)propan-1-amine (PubChem CID 62563652) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(1,2,4-triazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(1,2,4-triazol-1-yl)propan-1-amine
PubChem CID62563652
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC NameN-(3-ethoxypropyl)-2-(1,2,4-triazol-1-yl)propan-1-amine
SMILESCCOCCCNCC(C)n1cncn1
InChIInChI=1S/C10H20N4O/c1-3-15-6-4-5-11-7-10(2)14-9-12-8-13-14/h8-11H,3-7H2,1-2H3
InChIKeySKCOBTMKHKXIRD-UHFFFAOYSA-N
XLogP0.86
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.86
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 N-(3-ethoxypropyl)-2-(1,2,4-triazol-1-yl)propan-1-amine?
The IUPAC name of N-(3-ethoxypropyl)-2-(1,2,4-triazol-1-yl)propan-1-amine (CID 62563652) is N-(3-ethoxypropyl)-2-(1,2,4-triazol-1-yl)propan-1-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(1,2,4-triazol-1-yl)propan-1-amine?
The canonical SMILES for N-(3-ethoxypropyl)-2-(1,2,4-triazol-1-yl)propan-1-amine is CCOCCCNCC(C)n1cncn1.
What is the InChIKey of N-(3-ethoxypropyl)-2-(1,2,4-triazol-1-yl)propan-1-amine?
The InChIKey is SKCOBTMKHKXIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-3-15-6-4-5-11-7-10(2)14-9-12-8-13-14/h8-11H,3-7H2,1-2H3.
What are the key properties of N-(3-ethoxypropyl)-2-(1,2,4-triazol-1-yl)propan-1-amine?
N-(3-ethoxypropyl)-2-(1,2,4-triazol-1-yl)propan-1-amine has a molecular weight of 212.30 g/mol, XLogP of 0.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(1,2,4-triazol-1-yl)propan-1-amine is sourced from PubChem (CID 62563652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).