5-bromo-4,6-dichloro-2-(1H-1,2,4-triazol-5-yl)pyrimidine

C6H2BrCl2N5 — CID 66314341

IUPAC5-bromo-4,6-dichloro-2-(1H-1,2,4-triazol-5-yl)pyrimidine
SMILESClc1nc(-c2ncn[nH]2)nc(Cl)c1Br
InChIInChI=1S/C6H2BrCl2N5/c7-2-3(8)12-6(13-4(2)9)5-10-1-11-14-5/h1H,(H,10,11,14)
InChIKeyQGKBRBSOLSRQPG-UHFFFAOYSA-N
MW294.93 g/mol
LogP2.33
Rot. Bonds1

About 5-bromo-4,6-dichloro-2-(1H-1,2,4-triazol-5-yl)pyrimidine

5-bromo-4,6-dichloro-2-(1H-1,2,4-triazol-5-yl)pyrimidine (PubChem CID 66314341) has the molecular formula C6H2BrCl2N5 and a molecular weight of 294.93 g/mol. Its IUPAC name is 5-bromo-4,6-dichloro-2-(1H-1,2,4-triazol-5-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4,6-dichloro-2-(1H-1,2,4-triazol-5-yl)pyrimidine
PubChem CID66314341
Molecular FormulaC6H2BrCl2N5
Molecular Weight294.93 g/mol
Exact Mass292.89
IUPAC Name5-bromo-4,6-dichloro-2-(1H-1,2,4-triazol-5-yl)pyrimidine
SMILESClc1nc(-c2ncn[nH]2)nc(Cl)c1Br
InChIInChI=1S/C6H2BrCl2N5/c7-2-3(8)12-6(13-4(2)9)5-10-1-11-14-5/h1H,(H,10,11,14)
InChIKeyQGKBRBSOLSRQPG-UHFFFAOYSA-N
XLogP2.33
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.93
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,6-dichloro-2-(1H-1,2,4-triazol-5-yl)pyrimidine?
The IUPAC name of 5-bromo-4,6-dichloro-2-(1H-1,2,4-triazol-5-yl)pyrimidine (CID 66314341) is 5-bromo-4,6-dichloro-2-(1H-1,2,4-triazol-5-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4,6-dichloro-2-(1H-1,2,4-triazol-5-yl)pyrimidine?
The canonical SMILES for 5-bromo-4,6-dichloro-2-(1H-1,2,4-triazol-5-yl)pyrimidine is Clc1nc(-c2ncn[nH]2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4,6-dichloro-2-(1H-1,2,4-triazol-5-yl)pyrimidine?
The InChIKey is QGKBRBSOLSRQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrCl2N5/c7-2-3(8)12-6(13-4(2)9)5-10-1-11-14-5/h1H,(H,10,11,14).
What are the key properties of 5-bromo-4,6-dichloro-2-(1H-1,2,4-triazol-5-yl)pyrimidine?
5-bromo-4,6-dichloro-2-(1H-1,2,4-triazol-5-yl)pyrimidine has a molecular weight of 294.93 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,6-dichloro-2-(1H-1,2,4-triazol-5-yl)pyrimidine is sourced from PubChem (CID 66314341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).