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

C10H11BrN4 — CID 115049664

IUPAC(2-bromophenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCn1ncnc1C(N)c1ccccc1Br
InChIInChI=1S/C10H11BrN4/c1-15-10(13-6-14-15)9(12)7-4-2-3-5-8(7)11/h2-6,9H,12H2,1H3
InChIKeyHEEMAHAUNVTXIV-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.63
Rot. Bonds2

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

(2-bromophenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 115049664) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is (2-bromophenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(2-bromophenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
PubChem CID115049664
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name(2-bromophenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCn1ncnc1C(N)c1ccccc1Br
InChIInChI=1S/C10H11BrN4/c1-15-10(13-6-14-15)9(12)7-4-2-3-5-8(7)11/h2-6,9H,12H2,1H3
InChIKeyHEEMAHAUNVTXIV-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124230
1-(2-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride
CID 75493804
(5-methylthiophen-2-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 130530350
(3-methoxyphenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 115030681
(2-bromo-5-fluorophenyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112744592
(5-iodothiophen-3-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 130530394
1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 45490077
2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride
CID 47000789
(2R)-2-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 90284000
(2-bromophenyl)methanediamine
CID 22286781
2,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 130530383
(5-bromo-1H-imidazol-2-yl)-(2-bromophenyl)methanamine
CID 116835371

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (2-bromophenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine (CID 115049664) is (2-bromophenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (2-bromophenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (2-bromophenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine is Cn1ncnc1C(N)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is HEEMAHAUNVTXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c1-15-10(13-6-14-15)9(12)7-4-2-3-5-8(7)11/h2-6,9H,12H2,1H3.
What are the key properties of (2-bromophenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine?
(2-bromophenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 267.13 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 115049664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).