1-[4-[5-(2,3-dichloroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone

C15H16Cl2N6O — CID 112947154

IUPAC1-[4-[5-(2,3-dichloroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nncc(Nc3cccc(Cl)c3Cl)n2)CC1
InChIInChI=1S/C15H16Cl2N6O/c1-10(24)22-5-7-23(8-6-22)15-20-13(9-18-21-15)19-12-4-2-3-11(16)14(12)17/h2-4,9H,5-8H2,1H3,(H,19,20,21)
InChIKeyIELWKVYTNIHOCW-UHFFFAOYSA-N
MW367.24 g/mol
LogP2.59
Rot. Bonds3

About 1-[4-[5-(2,3-dichloroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone

1-[4-[5-(2,3-dichloroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 112947154) has the molecular formula C15H16Cl2N6O and a molecular weight of 367.24 g/mol. Its IUPAC name is 1-[4-[5-(2,3-dichloroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(2,3-dichloroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
PubChem CID112947154
Molecular FormulaC15H16Cl2N6O
Molecular Weight367.24 g/mol
Exact Mass366.08
IUPAC Name1-[4-[5-(2,3-dichloroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nncc(Nc3cccc(Cl)c3Cl)n2)CC1
InChIInChI=1S/C15H16Cl2N6O/c1-10(24)22-5-7-23(8-6-22)15-20-13(9-18-21-15)19-12-4-2-3-11(16)14(12)17/h2-4,9H,5-8H2,1H3,(H,19,20,21)
InChIKeyIELWKVYTNIHOCW-UHFFFAOYSA-N
XLogP2.59
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(azepan-1-yl)-N-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine
CID 112961449
1-[4-[5-(quinolin-8-ylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947143
1-[4-[5-(2-methoxyanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947103
1-[4-[3-(2,3-dichloroanilino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112946987
1-[4-[5-(2-propan-2-ylanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947081
N-(2,3-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-amine
CID 112956678
[4-[5-(2-chloroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112957825
N-(3-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112942855
N-[3-[(3-pyrrolidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]acetamide
CID 112941370
1-[4-[5-[4-(diethylamino)-2-methylanilino]-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947157
1-[4-[5-(propylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112938312
1-[4-[5-[(3-methylphenyl)methylamino]-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947003

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(2,3-dichloroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(2,3-dichloroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone (CID 112947154) is 1-[4-[5-(2,3-dichloroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(2,3-dichloroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(2,3-dichloroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nncc(Nc3cccc(Cl)c3Cl)n2)CC1.
What is the InChIKey of 1-[4-[5-(2,3-dichloroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is IELWKVYTNIHOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N6O/c1-10(24)22-5-7-23(8-6-22)15-20-13(9-18-21-15)19-12-4-2-3-11(16)14(12)17/h2-4,9H,5-8H2,1H3,(H,19,20,21).
What are the key properties of 1-[4-[5-(2,3-dichloroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone?
1-[4-[5-(2,3-dichloroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 367.24 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(2,3-dichloroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 112947154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).