4-(2-bromophenyl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C12H10BrN7 — CID 115503709

IUPAC4-(2-bromophenyl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCNc1nc(-c2ccccc2Br)nc(-n2cncn2)n1
InChIInChI=1S/C12H10BrN7/c1-14-11-17-10(8-4-2-3-5-9(8)13)18-12(19-11)20-7-15-6-16-20/h2-7H,1H3,(H,14,17,18,19)
InChIKeyYHSGMUYFBCXNNX-UHFFFAOYSA-N
MW332.17 g/mol
LogP1.92
Rot. Bonds3

About 4-(2-bromophenyl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

4-(2-bromophenyl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 115503709) has the molecular formula C12H10BrN7 and a molecular weight of 332.17 g/mol. Its IUPAC name is 4-(2-bromophenyl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID115503709
Molecular FormulaC12H10BrN7
Molecular Weight332.17 g/mol
Exact Mass331.02
IUPAC Name4-(2-bromophenyl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCNc1nc(-c2ccccc2Br)nc(-n2cncn2)n1
InChIInChI=1S/C12H10BrN7/c1-14-11-17-10(8-4-2-3-5-9(8)13)18-12(19-11)20-7-15-6-16-20/h2-7H,1H3,(H,14,17,18,19)
InChIKeyYHSGMUYFBCXNNX-UHFFFAOYSA-N
XLogP1.92
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-bromophenyl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 115503709) is 4-(2-bromophenyl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-bromophenyl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-bromophenyl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CNc1nc(-c2ccccc2Br)nc(-n2cncn2)n1.
What is the InChIKey of 4-(2-bromophenyl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is YHSGMUYFBCXNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN7/c1-14-11-17-10(8-4-2-3-5-9(8)13)18-12(19-11)20-7-15-6-16-20/h2-7H,1H3,(H,14,17,18,19).
What are the key properties of 4-(2-bromophenyl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-(2-bromophenyl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 332.17 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 115503709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).