N-[(4-bromophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine

C10H11BrN4 — CID 18778252

IUPACN-[(4-bromophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine
SMILESCc1nc(NCc2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C10H11BrN4/c1-7-13-10(15-14-7)12-6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3,(H2,12,13,14,15)
InChIKeyRDGVLYIBSBIRGO-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.49
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine

N-[(4-bromophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine (PubChem CID 18778252) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine
PubChem CID18778252
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC NameN-[(4-bromophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine
SMILESCc1nc(NCc2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C10H11BrN4/c1-7-13-10(15-14-7)12-6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3,(H2,12,13,14,15)
InChIKeyRDGVLYIBSBIRGO-UHFFFAOYSA-N
XLogP2.49
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4-bromophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-1,2,4-triazol-3-amine
CID 145198378
N-[(2,4-dichlorophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine
CID 18778242
N-[(4-bromophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664301
2-N-[(4-bromophenyl)methyl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80754839
4-(4-bromophenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
CID 78927713
1-benzyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)urea
CID 107653962
5-methyl-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazol-3-amine
CID 130644739
N-[(4-bromophenyl)methyl]-2-chloro-6-methylpyrimidin-4-amine
CID 62475587
6-N-[(4-bromophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80755274
N-[(4-bromophenyl)methyl]-5-[4-[(4-chlorophenoxy)methyl]phenyl]-1H-1,2,4-triazol-3-amine
CID 167836607
5-bromo-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
CID 63873584
4-bromo-N-[(4-bromophenyl)methyl]-3,5-dimethylaniline
CID 107572070

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine (CID 18778252) is N-[(4-bromophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine is Cc1nc(NCc2ccc(Br)cc2)n[nH]1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine?
The InChIKey is RDGVLYIBSBIRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c1-7-13-10(15-14-7)12-6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3,(H2,12,13,14,15).
What are the key properties of N-[(4-bromophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine?
N-[(4-bromophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine has a molecular weight of 267.13 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 18778252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).