1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine

C10H12N4 — CID 61318526

IUPAC1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine
SMILESc1ccc(CNCc2cn[nH]n2)cc1
InChIInChI=1S/C10H12N4/c1-2-4-9(5-3-1)6-11-7-10-8-12-14-13-10/h1-5,8,11H,6-7H2,(H,12,13,14)
InChIKeyXCKLTJZKOQETJR-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.09
Rot. Bonds4

About 1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine

1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine (PubChem CID 61318526) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine
PubChem CID61318526
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine
SMILESc1ccc(CNCc2cn[nH]n2)cc1
InChIInChI=1S/C10H12N4/c1-2-4-9(5-3-1)6-11-7-10-8-12-14-13-10/h1-5,8,11H,6-7H2,(H,12,13,14)
InChIKeyXCKLTJZKOQETJR-UHFFFAOYSA-N
XLogP1.09
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine?
The IUPAC name of 1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine (CID 61318526) is 1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine is c1ccc(CNCc2cn[nH]n2)cc1.
What is the InChIKey of 1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine?
The InChIKey is XCKLTJZKOQETJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-2-4-9(5-3-1)6-11-7-10-8-12-14-13-10/h1-5,8,11H,6-7H2,(H,12,13,14).
What are the key properties of 1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine?
1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine has a molecular weight of 188.23 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine is sourced from PubChem (CID 61318526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).