3-[3-(3-chloro-4-methylphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-cyclopropylpropanamide

C16H17ClN4O2 — CID 135868806

IUPAC3-[3-(3-chloro-4-methylphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-cyclopropylpropanamide
SMILESCc1ccc(-c2nnc(CCC(=O)NC3CC3)c(=O)[nH]2)cc1Cl
InChIInChI=1S/C16H17ClN4O2/c1-9-2-3-10(8-12(9)17)15-19-16(23)13(20-21-15)6-7-14(22)18-11-4-5-11/h2-3,8,11H,4-7H2,1H3,(H,18,22)(H,19,21,23)
InChIKeyWQRIEBFFFZLCCI-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.00
Rot. Bonds5

About 3-[3-(3-chloro-4-methylphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-cyclopropylpropanamide

3-[3-(3-chloro-4-methylphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-cyclopropylpropanamide (PubChem CID 135868806) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 3-[3-(3-chloro-4-methylphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[3-(3-chloro-4-methylphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-cyclopropylpropanamide
PubChem CID135868806
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name3-[3-(3-chloro-4-methylphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-cyclopropylpropanamide
SMILESCc1ccc(-c2nnc(CCC(=O)NC3CC3)c(=O)[nH]2)cc1Cl
InChIInChI=1S/C16H17ClN4O2/c1-9-2-3-10(8-12(9)17)15-19-16(23)13(20-21-15)6-7-14(22)18-11-4-5-11/h2-3,8,11H,4-7H2,1H3,(H,18,22)(H,19,21,23)
InChIKeyWQRIEBFFFZLCCI-UHFFFAOYSA-N
XLogP2.00
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chloro-4-methylphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-cyclopropylpropanamide?
The IUPAC name of 3-[3-(3-chloro-4-methylphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-cyclopropylpropanamide (CID 135868806) is 3-[3-(3-chloro-4-methylphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[3-(3-chloro-4-methylphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[3-(3-chloro-4-methylphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-cyclopropylpropanamide is Cc1ccc(-c2nnc(CCC(=O)NC3CC3)c(=O)[nH]2)cc1Cl.
What is the InChIKey of 3-[3-(3-chloro-4-methylphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-cyclopropylpropanamide?
The InChIKey is WQRIEBFFFZLCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-9-2-3-10(8-12(9)17)15-19-16(23)13(20-21-15)6-7-14(22)18-11-4-5-11/h2-3,8,11H,4-7H2,1H3,(H,18,22)(H,19,21,23).
What are the key properties of 3-[3-(3-chloro-4-methylphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-cyclopropylpropanamide?
3-[3-(3-chloro-4-methylphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-cyclopropylpropanamide has a molecular weight of 332.79 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chloro-4-methylphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 135868806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).