N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(triazol-1-yl)aniline

C15H16N6 — CID 66163095

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-2-(triazol-1-yl)aniline
SMILESc1ccc(-n2ccnn2)c(NCc2cncn2C2CC2)c1
InChIInChI=1S/C15H16N6/c1-2-4-15(21-8-7-18-19-21)14(3-1)17-10-13-9-16-11-20(13)12-5-6-12/h1-4,7-9,11-12,17H,5-6,10H2
InChIKeyIDTYCHIFRUITKG-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.41
Rot. Bonds5

About N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(triazol-1-yl)aniline

N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(triazol-1-yl)aniline (PubChem CID 66163095) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(triazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2-(triazol-1-yl)aniline
PubChem CID66163095
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2-(triazol-1-yl)aniline
SMILESc1ccc(-n2ccnn2)c(NCc2cncn2C2CC2)c1
InChIInChI=1S/C15H16N6/c1-2-4-15(21-8-7-18-19-21)14(3-1)17-10-13-9-16-11-20(13)12-5-6-12/h1-4,7-9,11-12,17H,5-6,10H2
InChIKeyIDTYCHIFRUITKG-UHFFFAOYSA-N
XLogP2.41
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(triazol-1-yl)aniline?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(triazol-1-yl)aniline (CID 66163095) is N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(triazol-1-yl)aniline.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(triazol-1-yl)aniline?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(triazol-1-yl)aniline is c1ccc(-n2ccnn2)c(NCc2cncn2C2CC2)c1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(triazol-1-yl)aniline?
The InChIKey is IDTYCHIFRUITKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-2-4-15(21-8-7-18-19-21)14(3-1)17-10-13-9-16-11-20(13)12-5-6-12/h1-4,7-9,11-12,17H,5-6,10H2.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(triazol-1-yl)aniline?
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(triazol-1-yl)aniline has a molecular weight of 280.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(triazol-1-yl)aniline is sourced from PubChem (CID 66163095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).