2-bromo-N-[(1-methyltriazol-4-yl)methyl]aniline

C10H11BrN4 — CID 62756659

IUPAC2-bromo-N-[(1-methyltriazol-4-yl)methyl]aniline
SMILESCn1cc(CNc2ccccc2Br)nn1
InChIInChI=1S/C10H11BrN4/c1-15-7-8(13-14-15)6-12-10-5-3-2-4-9(10)11/h2-5,7,12H,6H2,1H3
InChIKeyYBQJWWOANJXXPU-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.19
Rot. Bonds3

About 2-bromo-N-[(1-methyltriazol-4-yl)methyl]aniline

2-bromo-N-[(1-methyltriazol-4-yl)methyl]aniline (PubChem CID 62756659) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-bromo-N-[(1-methyltriazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-N-[(1-methyltriazol-4-yl)methyl]aniline
PubChem CID62756659
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name2-bromo-N-[(1-methyltriazol-4-yl)methyl]aniline
SMILESCn1cc(CNc2ccccc2Br)nn1
InChIInChI=1S/C10H11BrN4/c1-15-7-8(13-14-15)6-12-10-5-3-2-4-9(10)11/h2-5,7,12H,6H2,1H3
InChIKeyYBQJWWOANJXXPU-UHFFFAOYSA-N
XLogP2.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62755411
2-(1-chloroethyl)-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 107054054
2-(difluoromethylsulfanyl)-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62756281
N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethoxy)aniline
CID 62757923
N-[(1-methyltriazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 62755418
N,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62755607
2-cyclopentylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62755248
N-[(1-methyltriazol-4-yl)methyl]pyrimidin-2-amine
CID 127015751
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62755941
3-[4-[(3-bromo-2-methylanilino)methyl]triazol-1-yl]propan-1-ol
CID 107629688
N-[(1-methyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 55113792
3-bromo-5-chloro-2-methoxy-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62755413

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-methyltriazol-4-yl)methyl]aniline?
The IUPAC name of 2-bromo-N-[(1-methyltriazol-4-yl)methyl]aniline (CID 62756659) is 2-bromo-N-[(1-methyltriazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-bromo-N-[(1-methyltriazol-4-yl)methyl]aniline?
The canonical SMILES for 2-bromo-N-[(1-methyltriazol-4-yl)methyl]aniline is Cn1cc(CNc2ccccc2Br)nn1.
What is the InChIKey of 2-bromo-N-[(1-methyltriazol-4-yl)methyl]aniline?
The InChIKey is YBQJWWOANJXXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c1-15-7-8(13-14-15)6-12-10-5-3-2-4-9(10)11/h2-5,7,12H,6H2,1H3.
What are the key properties of 2-bromo-N-[(1-methyltriazol-4-yl)methyl]aniline?
2-bromo-N-[(1-methyltriazol-4-yl)methyl]aniline has a molecular weight of 267.13 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-methyltriazol-4-yl)methyl]aniline is sourced from PubChem (CID 62756659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).