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

C7H5Cl2N5 — CID 63613139

IUPAC4,6-dichloro-5-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidine
SMILESCc1c(Cl)nc(-c2ncn[nH]2)nc1Cl
InChIInChI=1S/C7H5Cl2N5/c1-3-4(8)12-7(13-5(3)9)6-10-2-11-14-6/h2H,1H3,(H,10,11,14)
InChIKeyOGKQNAIGRASWFR-UHFFFAOYSA-N
MW230.06 g/mol
LogP1.88
Rot. Bonds1

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

4,6-dichloro-5-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidine (PubChem CID 63613139) has the molecular formula C7H5Cl2N5 and a molecular weight of 230.06 g/mol. Its IUPAC name is 4,6-dichloro-5-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidine
PubChem CID63613139
Molecular FormulaC7H5Cl2N5
Molecular Weight230.06 g/mol
Exact Mass228.99
IUPAC Name4,6-dichloro-5-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidine
SMILESCc1c(Cl)nc(-c2ncn[nH]2)nc1Cl
InChIInChI=1S/C7H5Cl2N5/c1-3-4(8)12-7(13-5(3)9)6-10-2-11-14-6/h2H,1H3,(H,10,11,14)
InChIKeyOGKQNAIGRASWFR-UHFFFAOYSA-N
XLogP1.88
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidine (CID 63613139) is 4,6-dichloro-5-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidine is Cc1c(Cl)nc(-c2ncn[nH]2)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidine?
The InChIKey is OGKQNAIGRASWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2N5/c1-3-4(8)12-7(13-5(3)9)6-10-2-11-14-6/h2H,1H3,(H,10,11,14).
What are the key properties of 4,6-dichloro-5-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidine?
4,6-dichloro-5-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidine has a molecular weight of 230.06 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidine is sourced from PubChem (CID 63613139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).