3-chloro-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,4-triazine

C10H12ClN5 — CID 115001250

IUPAC3-chloro-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,4-triazine
SMILESCCc1c(C)nn(-c2cnnc(Cl)n2)c1C
InChIInChI=1S/C10H12ClN5/c1-4-8-6(2)15-16(7(8)3)9-5-12-14-10(11)13-9/h5H,4H2,1-3H3
InChIKeyHPYQODBFFWNHTC-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.89
Rot. Bonds2

About 3-chloro-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,4-triazine

3-chloro-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,4-triazine (PubChem CID 115001250) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 3-chloro-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name3-chloro-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,4-triazine
PubChem CID115001250
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name3-chloro-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,4-triazine
SMILESCCc1c(C)nn(-c2cnnc(Cl)n2)c1C
InChIInChI=1S/C10H12ClN5/c1-4-8-6(2)15-16(7(8)3)9-5-12-14-10(11)13-9/h5H,4H2,1-3H3
InChIKeyHPYQODBFFWNHTC-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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Related Compounds

[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]hydrazine
CID 80901527
2-chloro-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
CID 102716261
3-(chloromethyl)-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazine
CID 61256222
1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole
CID 50888250
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566076
2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinazoline
CID 62477705
[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine
CID 61237579
4-chloro-5-ethyl-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrimidine
CID 63730226
1-(2,3-dichlorophenyl)-4-ethyl-3,5-dimethylpyrazole
CID 50888272
1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189411
2-[1-(6-chloropyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 71756922
3-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 61237757

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,4-triazine?
The IUPAC name of 3-chloro-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,4-triazine (CID 115001250) is 3-chloro-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,4-triazine.
What is the SMILES notation for 3-chloro-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,4-triazine?
The canonical SMILES for 3-chloro-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,4-triazine is CCc1c(C)nn(-c2cnnc(Cl)n2)c1C.
What is the InChIKey of 3-chloro-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,4-triazine?
The InChIKey is HPYQODBFFWNHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-4-8-6(2)15-16(7(8)3)9-5-12-14-10(11)13-9/h5H,4H2,1-3H3.
What are the key properties of 3-chloro-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,4-triazine?
3-chloro-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,4-triazine 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 3-chloro-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,4-triazine is sourced from PubChem (CID 115001250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).