N-[2-(2-methoxyethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide

C12H14N4O2 — CID 102907600

IUPACN-[2-(2-methoxyethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCOCCc1ccccc1NC(=O)c1ncn[nH]1
InChIInChI=1S/C12H14N4O2/c1-18-7-6-9-4-2-3-5-10(9)15-12(17)11-13-8-14-16-11/h2-5,8H,6-7H2,1H3,(H,15,17)(H,13,14,16)
InChIKeyJXXQSWZJDHIMKP-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.25
Rot. Bonds5

About N-[2-(2-methoxyethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide

N-[2-(2-methoxyethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 102907600) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[2-(2-methoxyethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID102907600
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-[2-(2-methoxyethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCOCCc1ccccc1NC(=O)c1ncn[nH]1
InChIInChI=1S/C12H14N4O2/c1-18-7-6-9-4-2-3-5-10(9)15-12(17)11-13-8-14-16-11/h2-5,8H,6-7H2,1H3,(H,15,17)(H,13,14,16)
InChIKeyJXXQSWZJDHIMKP-UHFFFAOYSA-N
XLogP1.25
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride
CID 117071392
N-[2-(ethylaminomethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 63654524
N-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 755004
N-(2-iodophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 604403
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
5-[[2-(2-methoxyethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid
CID 102907527
5-amino-N-[2-(2-methoxyethyl)phenyl]pyrazine-2-carboxamide
CID 107377211
3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea
CID 102847778
N-[2-(2-methoxyethyl)phenyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 102907598
2,3-dihydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide
CID 102906466
4-amino-N-[2-(2-methoxyethyl)phenyl]pyridine-2-carboxamide
CID 102907947
N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 107000026

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[2-(2-methoxyethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (CID 102907600) is N-[2-(2-methoxyethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is COCCc1ccccc1NC(=O)c1ncn[nH]1.
What is the InChIKey of N-[2-(2-methoxyethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is JXXQSWZJDHIMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-18-7-6-9-4-2-3-5-10(9)15-12(17)11-13-8-14-16-11/h2-5,8H,6-7H2,1H3,(H,15,17)(H,13,14,16).
What are the key properties of N-[2-(2-methoxyethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
N-[2-(2-methoxyethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 102907600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).