5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine

C10H12N4 — CID 172619623

IUPAC5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine
SMILESCNc1n[nH]c(Cc2ccccc2)n1
InChIInChI=1S/C10H12N4/c1-11-10-12-9(13-14-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,12,13,14)
InChIKeyJZBZAYVZLHIXBY-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.44
Rot. Bonds3

About 5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine

5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine (PubChem CID 172619623) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine
PubChem CID172619623
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine
SMILESCNc1n[nH]c(Cc2ccccc2)n1
InChIInChI=1S/C10H12N4/c1-11-10-12-9(13-14-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,12,13,14)
InChIKeyJZBZAYVZLHIXBY-UHFFFAOYSA-N
XLogP1.44
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-benzyl-1H-1,2,4-triazol-3-yl)hydrazine
CID 13046508
5-benzyl-3-tert-butyl-1H-1,2,4-triazole
CID 163550877
5-(2-aminopropyl)-N-methyl-1H-1,2,4-triazol-3-amine
CID 83872825
3-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 46997417
3-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 46990331
5-benzyl-3-(4-chlorophenyl)-1H-1,2,4-triazole
CID 912792
4-(5-benzyl-1H-1,2,4-triazol-3-yl)phenol
CID 918324
N-(5-benzyl-1H-1,2,4-triazol-3-yl)-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 157012495
(Z)-N-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-[(5-ethyl-1H-1,2,4-triazol-3-yl)amino]-4-phenylbut-2-enamide
CID 25251720
3-(5-benzyl-1H-1,2,4-triazol-3-yl)aniline
CID 82568454
5-[(4-methylsulfonylphenyl)methyl]-3-(2-phenylethyl)-1H-1,2,4-triazole
CID 50958608
(R)-(5-benzyl-1H-1,2,4-triazol-3-yl)-(4-methoxyphenyl)methanol
CID 95122673

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine (CID 172619623) is 5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine is CNc1n[nH]c(Cc2ccccc2)n1.
What is the InChIKey of 5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine?
The InChIKey is JZBZAYVZLHIXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-11-10-12-9(13-14-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine?
5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine has a molecular weight of 188.23 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 172619623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).