4-chloro-6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidine

C8H8ClN5 — CID 80664132

IUPAC4-chloro-6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
SMILESCc1cc(Cl)nc(Cn2cncn2)n1
InChIInChI=1S/C8H8ClN5/c1-6-2-7(9)13-8(12-6)3-14-5-10-4-11-14/h2,4-5H,3H2,1H3
InChIKeyCHRMKLICAKNVNJ-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.08
Rot. Bonds2

About 4-chloro-6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidine

4-chloro-6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidine (PubChem CID 80664132) has the molecular formula C8H8ClN5 and a molecular weight of 209.64 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
PubChem CID80664132
Molecular FormulaC8H8ClN5
Molecular Weight209.64 g/mol
Exact Mass209.05
IUPAC Name4-chloro-6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
SMILESCc1cc(Cl)nc(Cn2cncn2)n1
InChIInChI=1S/C8H8ClN5/c1-6-2-7(9)13-8(12-6)3-14-5-10-4-11-14/h2,4-5H,3H2,1H3
InChIKeyCHRMKLICAKNVNJ-UHFFFAOYSA-N
XLogP1.08
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidine (CID 80664132) is 4-chloro-6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidine is Cc1cc(Cl)nc(Cn2cncn2)n1.
What is the InChIKey of 4-chloro-6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidine?
The InChIKey is CHRMKLICAKNVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5/c1-6-2-7(9)13-8(12-6)3-14-5-10-4-11-14/h2,4-5H,3H2,1H3.
What are the key properties of 4-chloro-6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidine?
4-chloro-6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidine has a molecular weight of 209.64 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidine is sourced from PubChem (CID 80664132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).