5-(5-bromopyrimidin-4-yl)-2-methyl-1,2,4-triazol-3-amine

C7H7BrN6 — CID 130565307

IUPAC5-(5-bromopyrimidin-4-yl)-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(-c2ncncc2Br)nc1N
InChIInChI=1S/C7H7BrN6/c1-14-7(9)12-6(13-14)5-4(8)2-10-3-11-5/h2-3H,1H3,(H2,9,12,13)
InChIKeyPCIWTFCFXSPYGM-UHFFFAOYSA-N
MW255.08 g/mol
LogP0.62
Rot. Bonds1

About 5-(5-bromopyrimidin-4-yl)-2-methyl-1,2,4-triazol-3-amine

5-(5-bromopyrimidin-4-yl)-2-methyl-1,2,4-triazol-3-amine (PubChem CID 130565307) has the molecular formula C7H7BrN6 and a molecular weight of 255.08 g/mol. Its IUPAC name is 5-(5-bromopyrimidin-4-yl)-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(5-bromopyrimidin-4-yl)-2-methyl-1,2,4-triazol-3-amine
PubChem CID130565307
Molecular FormulaC7H7BrN6
Molecular Weight255.08 g/mol
Exact Mass253.99
IUPAC Name5-(5-bromopyrimidin-4-yl)-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(-c2ncncc2Br)nc1N
InChIInChI=1S/C7H7BrN6/c1-14-7(9)12-6(13-14)5-4(8)2-10-3-11-5/h2-3H,1H3,(H2,9,12,13)
InChIKeyPCIWTFCFXSPYGM-UHFFFAOYSA-N
XLogP0.62
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.08
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromopyrimidin-4-yl)-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(5-bromopyrimidin-4-yl)-2-methyl-1,2,4-triazol-3-amine (CID 130565307) is 5-(5-bromopyrimidin-4-yl)-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(5-bromopyrimidin-4-yl)-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(5-bromopyrimidin-4-yl)-2-methyl-1,2,4-triazol-3-amine is Cn1nc(-c2ncncc2Br)nc1N.
What is the InChIKey of 5-(5-bromopyrimidin-4-yl)-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is PCIWTFCFXSPYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN6/c1-14-7(9)12-6(13-14)5-4(8)2-10-3-11-5/h2-3H,1H3,(H2,9,12,13).
What are the key properties of 5-(5-bromopyrimidin-4-yl)-2-methyl-1,2,4-triazol-3-amine?
5-(5-bromopyrimidin-4-yl)-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 255.08 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromopyrimidin-4-yl)-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 130565307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).