N-(2H-triazol-4-ylmethyl)aniline

C9H10N4 — CID 61318525

IUPACN-(2H-triazol-4-ylmethyl)aniline
SMILESc1ccc(NCc2cn[nH]n2)cc1
InChIInChI=1S/C9H10N4/c1-2-4-8(5-3-1)10-6-9-7-11-13-12-9/h1-5,7,10H,6H2,(H,11,12,13)
InChIKeyHRBWQOHSFYQKOI-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.42
Rot. Bonds3

About N-(2H-triazol-4-ylmethyl)aniline

N-(2H-triazol-4-ylmethyl)aniline (PubChem CID 61318525) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is N-(2H-triazol-4-ylmethyl)aniline.

Molecular Properties

Compound NameN-(2H-triazol-4-ylmethyl)aniline
PubChem CID61318525
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC NameN-(2H-triazol-4-ylmethyl)aniline
SMILESc1ccc(NCc2cn[nH]n2)cc1
InChIInChI=1S/C9H10N4/c1-2-4-8(5-3-1)10-6-9-7-11-13-12-9/h1-5,7,10H,6H2,(H,11,12,13)
InChIKeyHRBWQOHSFYQKOI-UHFFFAOYSA-N
XLogP1.42
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2H-triazol-4-ylmethyl)aniline?
The IUPAC name of N-(2H-triazol-4-ylmethyl)aniline (CID 61318525) is N-(2H-triazol-4-ylmethyl)aniline.
What is the SMILES notation for N-(2H-triazol-4-ylmethyl)aniline?
The canonical SMILES for N-(2H-triazol-4-ylmethyl)aniline is c1ccc(NCc2cn[nH]n2)cc1.
What is the InChIKey of N-(2H-triazol-4-ylmethyl)aniline?
The InChIKey is HRBWQOHSFYQKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-2-4-8(5-3-1)10-6-9-7-11-13-12-9/h1-5,7,10H,6H2,(H,11,12,13).
What are the key properties of N-(2H-triazol-4-ylmethyl)aniline?
N-(2H-triazol-4-ylmethyl)aniline has a molecular weight of 174.21 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-triazol-4-ylmethyl)aniline is sourced from PubChem (CID 61318525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).