[5-(4-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine

C10H11BrN4 — CID 82487224

IUPAC[5-(4-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCn1nc(-c2ccc(Br)cc2)nc1CN
InChIInChI=1S/C10H11BrN4/c1-15-9(6-12)13-10(14-15)7-2-4-8(11)5-3-7/h2-5H,6,12H2,1H3
InChIKeyMUNGPATUQRTKFP-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.70
Rot. Bonds2

About [5-(4-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine

[5-(4-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 82487224) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is [5-(4-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(4-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
PubChem CID82487224
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name[5-(4-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCn1nc(-c2ccc(Br)cc2)nc1CN
InChIInChI=1S/C10H11BrN4/c1-15-9(6-12)13-10(14-15)7-2-4-8(11)5-3-7/h2-5H,6,12H2,1H3
InChIKeyMUNGPATUQRTKFP-UHFFFAOYSA-N
XLogP1.70
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
CID 62732620
[5-(4-cyclohexylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 96667777
[5-(4-bromothiophen-2-yl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82488638
3-(4-bromophenyl)-1-methyl-5-propan-2-yl-1,2,4-triazole
CID 82489304
2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-2-amine
CID 64672697
[2-(4-bromophenyl)-1-methylimidazol-4-yl]methanamine
CID 82304335
3-(4-bromophenyl)-1-methyl-1,2,4-triazole
CID 58371841
2-[5-(2-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82489387
[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]methanamine
CID 82473927
5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyridin-2-amine
CID 157011768
[5-(2,5-dimethoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82485568
[5-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82484705

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(4-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine (CID 82487224) is [5-(4-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(4-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(4-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine is Cn1nc(-c2ccc(Br)cc2)nc1CN.
What is the InChIKey of [5-(4-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is MUNGPATUQRTKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c1-15-9(6-12)13-10(14-15)7-2-4-8(11)5-3-7/h2-5H,6,12H2,1H3.
What are the key properties of [5-(4-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine?
[5-(4-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 267.13 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 82487224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).