N-(2-methoxyethyl)-N-methyl-6-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C15H21N7O4 — CID 166615623

IUPACN-(2-methoxyethyl)-N-methyl-6-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOCCN(C)C(=O)c1n[nH]c2c1CCN(C(=O)c1nn(C)c(=O)[nH]1)C2
InChIInChI=1S/C15H21N7O4/c1-20(6-7-26-3)13(23)11-9-4-5-22(8-10(9)17-18-11)14(24)12-16-15(25)21(2)19-12/h4-8H2,1-3H3,(H,17,18)(H,16,19,25)
InChIKeyKCCXUIPLRXBXBC-UHFFFAOYSA-N
MW363.38 g/mol
LogP-1.25
Rot. Bonds5

About N-(2-methoxyethyl)-N-methyl-6-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

N-(2-methoxyethyl)-N-methyl-6-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 166615623) has the molecular formula C15H21N7O4 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-6-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-6-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID166615623
Molecular FormulaC15H21N7O4
Molecular Weight363.38 g/mol
Exact Mass363.17
IUPAC NameN-(2-methoxyethyl)-N-methyl-6-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOCCN(C)C(=O)c1n[nH]c2c1CCN(C(=O)c1nn(C)c(=O)[nH]1)C2
InChIInChI=1S/C15H21N7O4/c1-20(6-7-26-3)13(23)11-9-4-5-22(8-10(9)17-18-11)14(24)12-16-15(25)21(2)19-12/h4-8H2,1-3H3,(H,17,18)(H,16,19,25)
InChIKeyKCCXUIPLRXBXBC-UHFFFAOYSA-N
XLogP-1.25
TPSA129.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-6-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-6-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 166615623) is N-(2-methoxyethyl)-N-methyl-6-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-6-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-6-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is COCCN(C)C(=O)c1n[nH]c2c1CCN(C(=O)c1nn(C)c(=O)[nH]1)C2.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-6-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is KCCXUIPLRXBXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O4/c1-20(6-7-26-3)13(23)11-9-4-5-22(8-10(9)17-18-11)14(24)12-16-15(25)21(2)19-12/h4-8H2,1-3H3,(H,17,18)(H,16,19,25).
What are the key properties of N-(2-methoxyethyl)-N-methyl-6-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
N-(2-methoxyethyl)-N-methyl-6-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 363.38 g/mol, XLogP of -1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-6-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 166615623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).