N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide

C15H24N8O — CID 70724937

IUPACN-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
SMILESCn1ncnc1CCNC(=O)c1cn(CCC2CCCCN2)nn1
InChIInChI=1S/C15H24N8O/c1-22-14(18-11-19-22)5-8-17-15(24)13-10-23(21-20-13)9-6-12-4-2-3-7-16-12/h10-12,16H,2-9H2,1H3,(H,17,24)
InChIKeyYVORNIQTJFITED-UHFFFAOYSA-N
MW332.41 g/mol
LogP-0.09
Rot. Bonds7

About N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide

N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide (PubChem CID 70724937) has the molecular formula C15H24N8O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
PubChem CID70724937
Molecular FormulaC15H24N8O
Molecular Weight332.41 g/mol
Exact Mass332.21
IUPAC NameN-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
SMILESCn1ncnc1CCNC(=O)c1cn(CCC2CCCCN2)nn1
InChIInChI=1S/C15H24N8O/c1-22-14(18-11-19-22)5-8-17-15(24)13-10-23(21-20-13)9-6-12-4-2-3-7-16-12/h10-12,16H,2-9H2,1H3,(H,17,24)
InChIKeyYVORNIQTJFITED-UHFFFAOYSA-N
XLogP-0.09
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide with MolForge

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Related Compounds

1-(2-cyclohexylethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 56904759
[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone
CID 72127418
(2-propan-2-yl-1H-imidazol-5-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72128796
[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 72141944
[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 72142910
N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-2-pyrazinecarboxamide
CID 91922568
6-[(trans-3-{5-[(dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}cyclobutyl)amino]-N,N-dimethylpyrazine-2-carboxamide
CID 91764573
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-piperazin-1-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70706289
1-(cis-4-aminocyclohexyl)-N-[1-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 70709218
N-[2-(5-isopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70711368
N-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70719235
1-(2-aminoethyl)-N-[cyclopropyl(1-methyl-1H-imidazol-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 70733623

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The IUPAC name of N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide (CID 70724937) is N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The canonical SMILES for N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide is Cn1ncnc1CCNC(=O)c1cn(CCC2CCCCN2)nn1.
What is the InChIKey of N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The InChIKey is YVORNIQTJFITED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N8O/c1-22-14(18-11-19-22)5-8-17-15(24)13-10-23(21-20-13)9-6-12-4-2-3-7-16-12/h10-12,16H,2-9H2,1H3,(H,17,24).
What are the key properties of N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of -0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 70724937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).