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

C12H15N5O — CID 63654524

IUPACN-[2-(ethylaminomethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCNCc1ccccc1NC(=O)c1ncn[nH]1
InChIInChI=1S/C12H15N5O/c1-2-13-7-9-5-3-4-6-10(9)16-12(18)11-14-8-15-17-11/h3-6,8,13H,2,7H2,1H3,(H,16,18)(H,14,15,17)
InChIKeyHDNVEEOGXQVLBC-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.17
Rot. Bonds5

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

N-[2-(ethylaminomethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 63654524) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID63654524
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCNCc1ccccc1NC(=O)c1ncn[nH]1
InChIInChI=1S/C12H15N5O/c1-2-13-7-9-5-3-4-6-10(9)16-12(18)11-14-8-15-17-11/h3-6,8,13H,2,7H2,1H3,(H,16,18)(H,14,15,17)
InChIKeyHDNVEEOGXQVLBC-UHFFFAOYSA-N
XLogP1.17
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.17
H-Bond Donors ≤ 53
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-(2-methoxyethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 102907600
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-chlorophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 804912
N-[2-(ethylaminomethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103805568
N-[2-(ethylaminomethyl)phenyl]-3-methylpyridine-2-carboxamide
CID 62339323
5-cyano-N-[2-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
CID 63723902
N-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide
CID 79213773
N-[2-(ethylaminomethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107973168
N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 107000026
4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 86779920

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (CID 63654524) is N-[2-(ethylaminomethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is CCNCc1ccccc1NC(=O)c1ncn[nH]1.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is HDNVEEOGXQVLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-2-13-7-9-5-3-4-6-10(9)16-12(18)11-14-8-15-17-11/h3-6,8,13H,2,7H2,1H3,(H,16,18)(H,14,15,17).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
N-[2-(ethylaminomethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 63654524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).