N,N-dipropyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline

C15H21N5 — CID 6901821

IUPACN,N-dipropyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline
SMILESCCCN(CCC)c1ccc(/C=N/n2cnnc2)cc1
InChIInChI=1S/C15H21N5/c1-3-9-19(10-4-2)15-7-5-14(6-8-15)11-18-20-12-16-17-13-20/h5-8,11-13H,3-4,9-10H2,1-2H3/b18-11+
InChIKeyUXDXUEIKQPRJBJ-WOJGMQOQSA-N
MW271.37 g/mol
LogP2.79
Rot. Bonds7

About N,N-dipropyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline

N,N-dipropyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline (PubChem CID 6901821) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N,N-dipropyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline.

Molecular Properties

Compound NameN,N-dipropyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline
PubChem CID6901821
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN,N-dipropyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline
SMILESCCCN(CCC)c1ccc(/C=N/n2cnnc2)cc1
InChIInChI=1S/C15H21N5/c1-3-9-19(10-4-2)15-7-5-14(6-8-15)11-18-20-12-16-17-13-20/h5-8,11-13H,3-4,9-10H2,1-2H3/b18-11+
InChIKeyUXDXUEIKQPRJBJ-WOJGMQOQSA-N
XLogP2.79
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline?
The IUPAC name of N,N-dipropyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline (CID 6901821) is N,N-dipropyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline.
What is the SMILES notation for N,N-dipropyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline?
The canonical SMILES for N,N-dipropyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline is CCCN(CCC)c1ccc(/C=N/n2cnnc2)cc1.
What is the InChIKey of N,N-dipropyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline?
The InChIKey is UXDXUEIKQPRJBJ-WOJGMQOQSA-N. The full InChI is InChI=1S/C15H21N5/c1-3-9-19(10-4-2)15-7-5-14(6-8-15)11-18-20-12-16-17-13-20/h5-8,11-13H,3-4,9-10H2,1-2H3/b18-11+.
What are the key properties of N,N-dipropyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline?
N,N-dipropyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline has a molecular weight of 271.37 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline is sourced from PubChem (CID 6901821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).