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

C19H18N8O2 — CID 136874690

IUPAC5-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
SMILESCc1cc(C(=O)N/N=C\c2c(C)[nH]c3ccccc23)n(-c2nnc(C)c(=O)[nH]2)n1
InChIInChI=1S/C19H18N8O2/c1-10-8-16(27(26-10)19-22-17(28)12(3)23-25-19)18(29)24-20-9-14-11(2)21-15-7-5-4-6-13(14)15/h4-9,21H,1-3H3,(H,24,29)(H,22,25,28)/b20-9-
InChIKeyPVVCBMMCOUHNPA-UKWGHVSLSA-N
MW390.41 g/mol
LogP1.52
Rot. Bonds4

About 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

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 (PubChem CID 136874690) has the molecular formula C19H18N8O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID136874690
Molecular FormulaC19H18N8O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name5-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
SMILESCc1cc(C(=O)N/N=C\c2c(C)[nH]c3ccccc23)n(-c2nnc(C)c(=O)[nH]2)n1
InChIInChI=1S/C19H18N8O2/c1-10-8-16(27(26-10)19-22-17(28)12(3)23-25-19)18(29)24-20-9-14-11(2)21-15-7-5-4-6-13(14)15/h4-9,21H,1-3H3,(H,24,29)(H,22,25,28)/b20-9-
InChIKeyPVVCBMMCOUHNPA-UKWGHVSLSA-N
XLogP1.52
TPSA133.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C(=O)N/N=C\c2c(C)[nH]c3ccccc23)n(-c2nnc(C)c(=O)[nH]2)n1.
What is the InChIKey of 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?
The InChIKey is PVVCBMMCOUHNPA-UKWGHVSLSA-N. The full InChI is InChI=1S/C19H18N8O2/c1-10-8-16(27(26-10)19-22-17(28)12(3)23-25-19)18(29)24-20-9-14-11(2)21-15-7-5-4-6-13(14)15/h4-9,21H,1-3H3,(H,24,29)(H,22,25,28)/b20-9-.
What are the key properties of 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?
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 has a molecular weight of 390.41 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 136874690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).