2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)-4,6-dimethylpyrimidine

C10H12ClN5 — CID 30032625

IUPAC2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)-4,6-dimethylpyrimidine
SMILESCCc1nc(Cl)n(-c2nc(C)cc(C)n2)n1
InChIInChI=1S/C10H12ClN5/c1-4-8-14-9(11)16(15-8)10-12-6(2)5-7(3)13-10/h5H,4H2,1-3H3
InChIKeyRSIYUXGMEQKCDA-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.89
Rot. Bonds2

About 2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)-4,6-dimethylpyrimidine

2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)-4,6-dimethylpyrimidine (PubChem CID 30032625) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)-4,6-dimethylpyrimidine
PubChem CID30032625
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)-4,6-dimethylpyrimidine
SMILESCCc1nc(Cl)n(-c2nc(C)cc(C)n2)n1
InChIInChI=1S/C10H12ClN5/c1-4-8-14-9(11)16(15-8)10-12-6(2)5-7(3)13-10/h5H,4H2,1-3H3
InChIKeyRSIYUXGMEQKCDA-UHFFFAOYSA-N
XLogP1.89
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)-4,6-dimethylpyrimidine?
The IUPAC name of 2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)-4,6-dimethylpyrimidine (CID 30032625) is 2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)-4,6-dimethylpyrimidine?
The canonical SMILES for 2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)-4,6-dimethylpyrimidine is CCc1nc(Cl)n(-c2nc(C)cc(C)n2)n1.
What is the InChIKey of 2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)-4,6-dimethylpyrimidine?
The InChIKey is RSIYUXGMEQKCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-4-8-14-9(11)16(15-8)10-12-6(2)5-7(3)13-10/h5H,4H2,1-3H3.
What are the key properties of 2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)-4,6-dimethylpyrimidine?
2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)-4,6-dimethylpyrimidine has a molecular weight of 237.69 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)-4,6-dimethylpyrimidine is sourced from PubChem (CID 30032625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).