3-ethyl-5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]triazole-4-carboxamide

C13H21N7O — CID 138036813

IUPAC3-ethyl-5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]triazole-4-carboxamide
SMILESCCn1nnc(C)c1C(=O)NCCn1cnnc1C(C)C
InChIInChI=1S/C13H21N7O/c1-5-20-11(10(4)16-18-20)13(21)14-6-7-19-8-15-17-12(19)9(2)3/h8-9H,5-7H2,1-4H3,(H,14,21)
InChIKeyOFHNOGQSHSPIIR-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.75
Rot. Bonds6

About 3-ethyl-5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]triazole-4-carboxamide

3-ethyl-5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]triazole-4-carboxamide (PubChem CID 138036813) has the molecular formula C13H21N7O and a molecular weight of 291.36 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]triazole-4-carboxamide
PubChem CID138036813
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name3-ethyl-5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]triazole-4-carboxamide
SMILESCCn1nnc(C)c1C(=O)NCCn1cnnc1C(C)C
InChIInChI=1S/C13H21N7O/c1-5-20-11(10(4)16-18-20)13(21)14-6-7-19-8-15-17-12(19)9(2)3/h8-9H,5-7H2,1-4H3,(H,14,21)
InChIKeyOFHNOGQSHSPIIR-UHFFFAOYSA-N
XLogP0.75
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]triazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide
CID 125157749
N-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
CID 155952802
4-methyl-N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-1H-imidazole-5-carboxamide
CID 56703491
4-methyl-N-[trans-4-(4H-1,2,4-triazol-4-yl)cyclohexyl]-1H-imidazole-5-carboxamide
CID 56754494
1-(2-aminoethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide
CID 65945732
1-(2-aminoethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]triazole-4-carboxamide
CID 65946297
1-(2-aminoethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide
CID 65949793
1-[(4-methyl-1H-imidazol-5-yl)carbonyl]-4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 70705878
1-[(4-methyl-1H-imidazol-5-yl)carbonyl]-4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 70724973
1-[(4-methyl-1H-imidazol-5-yl)carbonyl]-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 70775138
1-methyl-4-[(4-methyl-5-{1-[(4-methyl-1H-imidazol-5-yl)carbonyl]piperidin-4-yl}-4H-1,2,4-triazol-3-yl)methyl]piperazine
CID 72861154
(5-methyl-1H-imidazol-4-yl)-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 95895112

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]triazole-4-carboxamide (CID 138036813) is 3-ethyl-5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]triazole-4-carboxamide is CCn1nnc(C)c1C(=O)NCCn1cnnc1C(C)C.
What is the InChIKey of 3-ethyl-5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]triazole-4-carboxamide?
The InChIKey is OFHNOGQSHSPIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O/c1-5-20-11(10(4)16-18-20)13(21)14-6-7-19-8-15-17-12(19)9(2)3/h8-9H,5-7H2,1-4H3,(H,14,21).
What are the key properties of 3-ethyl-5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]triazole-4-carboxamide?
3-ethyl-5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]triazole-4-carboxamide has a molecular weight of 291.36 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 138036813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).