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

C15H25N9O — CID 70706289

IUPACN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide
SMILESCCn1ncnc1C(C)NC(=O)c1cn(CCN2CCNCC2)nn1
InChIInChI=1S/C15H25N9O/c1-3-24-14(17-11-18-24)12(2)19-15(25)13-10-23(21-20-13)9-8-22-6-4-16-5-7-22/h10-12,16H,3-9H2,1-2H3,(H,19,25)
InChIKeyVYABQUWHGAWOOD-UHFFFAOYSA-N
MW347.43 g/mol
LogP-0.71
Rot. Bonds7

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

N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide (PubChem CID 70706289) has the molecular formula C15H25N9O and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide
PubChem CID70706289
Molecular FormulaC15H25N9O
Molecular Weight347.43 g/mol
Exact Mass347.22
IUPAC NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide
SMILESCCn1ncnc1C(C)NC(=O)c1cn(CCN2CCNCC2)nn1
InChIInChI=1S/C15H25N9O/c1-3-24-14(17-11-18-24)12(2)19-15(25)13-10-23(21-20-13)9-8-22-6-4-16-5-7-22/h10-12,16H,3-9H2,1-2H3,(H,19,25)
InChIKeyVYABQUWHGAWOOD-UHFFFAOYSA-N
XLogP-0.71
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,1-dimethylimidazole-4-carboxamide
CID 165415160
[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-[2-(1-cyclopropyl-5-methyl-1H-imidazol-2-yl)ethyl]-1-methyl-1H-imidazole-4-carboxamide
CID 91923835
[3-[(dimethylamino)methyl]-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]-(1H-imidazol-5-yl)methanone
CID 97405572
(3S,4S)-N-methyl-1-[(5-methyl-2-pyrazinyl)carbonyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrole-3-carboxamide
CID 91911181
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-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide
CID 166507910
1-cyclopropyl-N-{1-[(1-methyl-1H-imidazol-4-yl)methyl]azetidin-3-yl}-1H-1,2,3-triazole-4-carboxamide
CID 132219997
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide?
The IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide (CID 70706289) is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide?
The canonical SMILES for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide is CCn1ncnc1C(C)NC(=O)c1cn(CCN2CCNCC2)nn1.
What is the InChIKey of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide?
The InChIKey is VYABQUWHGAWOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N9O/c1-3-24-14(17-11-18-24)12(2)19-15(25)13-10-23(21-20-13)9-8-22-6-4-16-5-7-22/h10-12,16H,3-9H2,1-2H3,(H,19,25).
What are the key properties of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide?
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide has a molecular weight of 347.43 g/mol, XLogP of -0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 70706289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).