5-methyl-2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyrazole-3-carboxamide

C19H21N7O3 — CID 136874701

IUPAC5-methyl-2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyrazole-3-carboxamide
SMILESCCCOc1ccccc1/C=N\NC(=O)c1cc(C)nn1-c1nnc(C)c(=O)[nH]1
InChIInChI=1S/C19H21N7O3/c1-4-9-29-16-8-6-5-7-14(16)11-20-23-18(28)15-10-12(2)25-26(15)19-21-17(27)13(3)22-24-19/h5-8,10-11H,4,9H2,1-3H3,(H,23,28)(H,21,24,27)/b20-11-
InChIKeySYZQZUKPOSUDFI-JAIQZWGSSA-N
MW395.42 g/mol
LogP1.52
Rot. Bonds7

About 5-methyl-2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyrazole-3-carboxamide

5-methyl-2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyrazole-3-carboxamide (PubChem CID 136874701) has the molecular formula C19H21N7O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is 5-methyl-2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyrazole-3-carboxamide
PubChem CID136874701
Molecular FormulaC19H21N7O3
Molecular Weight395.42 g/mol
Exact Mass395.17
IUPAC Name5-methyl-2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyrazole-3-carboxamide
SMILESCCCOc1ccccc1/C=N\NC(=O)c1cc(C)nn1-c1nnc(C)c(=O)[nH]1
InChIInChI=1S/C19H21N7O3/c1-4-9-29-16-8-6-5-7-14(16)11-20-23-18(28)15-10-12(2)25-26(15)19-21-17(27)13(3)22-24-19/h5-8,10-11H,4,9H2,1-3H3,(H,23,28)(H,21,24,27)/b20-11-
InChIKeySYZQZUKPOSUDFI-JAIQZWGSSA-N
XLogP1.52
TPSA127.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-5-methyl-2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)pyrazole-3-carboxamide
CID 136874651
N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-5-methyl-2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)pyrazole-3-carboxamide
CID 136874660
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methyl-2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)pyrazole-3-carboxamide
CID 136874650
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-methyl-2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)pyrazole-3-carboxamide
CID 136874722
N-[(Z)-(2-chloro-3-hydroxy-4-methoxyphenyl)methylideneamino]-5-methyl-2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)pyrazole-3-carboxamide
CID 136874686
5-methyl-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)pyrazole-3-carboxamide
CID 136874690
5-methyl-2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)-N-[(Z)-[3-(2-methylpropoxy)phenyl]methylideneamino]pyrazole-3-carboxamide
CID 136874683
4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 5131862
1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
1-methyl-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110523602
4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 4300474
4-methyl-2-phenyl-N-[(E)-(2-propoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
CID 110338438

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyrazole-3-carboxamide (CID 136874701) is 5-methyl-2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyrazole-3-carboxamide is CCCOc1ccccc1/C=N\NC(=O)c1cc(C)nn1-c1nnc(C)c(=O)[nH]1.
What is the InChIKey of 5-methyl-2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyrazole-3-carboxamide?
The InChIKey is SYZQZUKPOSUDFI-JAIQZWGSSA-N. The full InChI is InChI=1S/C19H21N7O3/c1-4-9-29-16-8-6-5-7-14(16)11-20-23-18(28)15-10-12(2)25-26(15)19-21-17(27)13(3)22-24-19/h5-8,10-11H,4,9H2,1-3H3,(H,23,28)(H,21,24,27)/b20-11-.
What are the key properties of 5-methyl-2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyrazole-3-carboxamide?
5-methyl-2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyrazole-3-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyrazole-3-carboxamide is sourced from PubChem (CID 136874701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).