5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C16H25N7O — CID 56865873

IUPAC5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(C)CC(NC(=O)c1n[nH]c2c1CN(C)CC2)c1ncnn1C
InChIInChI=1S/C16H25N7O/c1-10(2)7-13(15-17-9-18-23(15)4)19-16(24)14-11-8-22(3)6-5-12(11)20-21-14/h9-10,13H,5-8H2,1-4H3,(H,19,24)(H,20,21)
InChIKeyMRLMDVABVGUYAK-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.04
Rot. Bonds5

About 5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 56865873) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID56865873
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC Name5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(C)CC(NC(=O)c1n[nH]c2c1CN(C)CC2)c1ncnn1C
InChIInChI=1S/C16H25N7O/c1-10(2)7-13(15-17-9-18-23(15)4)19-16(24)14-11-8-22(3)6-5-12(11)20-21-14/h9-10,13H,5-8H2,1-4H3,(H,19,24)(H,20,21)
InChIKeyMRLMDVABVGUYAK-UHFFFAOYSA-N
XLogP1.04
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 56865873) is 5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CC(C)CC(NC(=O)c1n[nH]c2c1CN(C)CC2)c1ncnn1C.
What is the InChIKey of 5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is MRLMDVABVGUYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-10(2)7-13(15-17-9-18-23(15)4)19-16(24)14-11-8-22(3)6-5-12(11)20-21-14/h9-10,13H,5-8H2,1-4H3,(H,19,24)(H,20,21).
What are the key properties of 5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 56865873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).