N-(2,3-dimethoxypropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide

C10H18N4O3 — CID 114101659

IUPACN-(2,3-dimethoxypropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCC(COC)OC)n[nH]1
InChIInChI=1S/C10H18N4O3/c1-4-8-12-9(14-13-8)10(15)11-5-7(17-3)6-16-2/h7H,4-6H2,1-3H3,(H,11,15)(H,12,13,14)
InChIKeyBXLINQTUYASMRP-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.24
Rot. Bonds7

About N-(2,3-dimethoxypropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide

N-(2,3-dimethoxypropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 114101659) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(2,3-dimethoxypropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethoxypropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID114101659
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC NameN-(2,3-dimethoxypropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCC(COC)OC)n[nH]1
InChIInChI=1S/C10H18N4O3/c1-4-8-12-9(14-13-8)10(15)11-5-7(17-3)6-16-2/h7H,4-6H2,1-3H3,(H,11,15)(H,12,13,14)
InChIKeyBXLINQTUYASMRP-UHFFFAOYSA-N
XLogP-0.24
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-(2-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107155420
3-[[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]pentanoic acid
CID 81063659
3-methoxy-4-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid
CID 103152362
5-ethyl-N-(4-hydroxybutyl)-1H-1,2,4-triazole-3-carboxamide
CID 106844104
5-ethyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107319568
N-(2-amino-2-methylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 115303347
5-ethyl-N-[(4-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 106137470
N-(2-amino-2-oxoethoxy)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 112674372
N-(2-methoxyethoxy)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 82721493
N-(2-hydroxy-4,4-dimethylpentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 107155419
2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82786211
5-ethyl-N-[(1-methylcyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 114095110

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethoxypropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2,3-dimethoxypropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide (CID 114101659) is N-(2,3-dimethoxypropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethoxypropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2,3-dimethoxypropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)NCC(COC)OC)n[nH]1.
What is the InChIKey of N-(2,3-dimethoxypropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is BXLINQTUYASMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-4-8-12-9(14-13-8)10(15)11-5-7(17-3)6-16-2/h7H,4-6H2,1-3H3,(H,11,15)(H,12,13,14).
What are the key properties of N-(2,3-dimethoxypropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
N-(2,3-dimethoxypropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 242.28 g/mol, XLogP of -0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethoxypropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 114101659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).