N-(2-methylpropyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]triazole-4-carboxamide

C17H25N7O — CID 56711595

IUPACN-(2-methylpropyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]triazole-4-carboxamide
SMILESCc1nccnc1N1CCC(n2cc(C(=O)NCC(C)C)nn2)CC1
InChIInChI=1S/C17H25N7O/c1-12(2)10-20-17(25)15-11-24(22-21-15)14-4-8-23(9-5-14)16-13(3)18-6-7-19-16/h6-7,11-12,14H,4-5,8-10H2,1-3H3,(H,20,25)
InChIKeyVWNORZZMTSYUGX-UHFFFAOYSA-N
MW343.44 g/mol
LogP1.60
Rot. Bonds5

About N-(2-methylpropyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]triazole-4-carboxamide

N-(2-methylpropyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]triazole-4-carboxamide (PubChem CID 56711595) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]triazole-4-carboxamide
PubChem CID56711595
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC NameN-(2-methylpropyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]triazole-4-carboxamide
SMILESCc1nccnc1N1CCC(n2cc(C(=O)NCC(C)C)nn2)CC1
InChIInChI=1S/C17H25N7O/c1-12(2)10-20-17(25)15-11-24(22-21-15)14-4-8-23(9-5-14)16-13(3)18-6-7-19-16/h6-7,11-12,14H,4-5,8-10H2,1-3H3,(H,20,25)
InChIKeyVWNORZZMTSYUGX-UHFFFAOYSA-N
XLogP1.60
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-methylpropyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]triazole-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]triazole-4-carboxamide (CID 56711595) is N-(2-methylpropyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]triazole-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]triazole-4-carboxamide is Cc1nccnc1N1CCC(n2cc(C(=O)NCC(C)C)nn2)CC1.
What is the InChIKey of N-(2-methylpropyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]triazole-4-carboxamide?
The InChIKey is VWNORZZMTSYUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-12(2)10-20-17(25)15-11-24(22-21-15)14-4-8-23(9-5-14)16-13(3)18-6-7-19-16/h6-7,11-12,14H,4-5,8-10H2,1-3H3,(H,20,25).
What are the key properties of N-(2-methylpropyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]triazole-4-carboxamide?
N-(2-methylpropyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]triazole-4-carboxamide has a molecular weight of 343.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 56711595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).