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

C12H14N6O2 — CID 107000026

IUPACN-[2-(2-aminoethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESNCCNC(=O)c1ccccc1NC(=O)c1ncn[nH]1
InChIInChI=1S/C12H14N6O2/c13-5-6-14-11(19)8-3-1-2-4-9(8)17-12(20)10-15-7-16-18-10/h1-4,7H,5-6,13H2,(H,14,19)(H,17,20)(H,15,16,18)
InChIKeyGMCLNRDAEJCNOP-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.25
Rot. Bonds5

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

N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 107000026) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID107000026
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC NameN-[2-(2-aminoethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESNCCNC(=O)c1ccccc1NC(=O)c1ncn[nH]1
InChIInChI=1S/C12H14N6O2/c13-5-6-14-11(19)8-3-1-2-4-9(8)17-12(20)10-15-7-16-18-10/h1-4,7H,5-6,13H2,(H,14,19)(H,17,20)(H,15,16,18)
InChIKeyGMCLNRDAEJCNOP-UHFFFAOYSA-N
XLogP-0.25
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride
CID 117071392
N-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106999665
N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-imidazole-5-carboxamide
CID 107000042
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060
N-[2-(ethylaminomethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 63654524
N-(2-aminoethyl)-2-(but-3-enoylamino)benzamide
CID 106999671
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide
CID 106999674
N-[2-(2-methoxyethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 102907600
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-chlorothiophene-2-carboxamide
CID 107000040

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (CID 107000026) is N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is NCCNC(=O)c1ccccc1NC(=O)c1ncn[nH]1.
What is the InChIKey of N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is GMCLNRDAEJCNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c13-5-6-14-11(19)8-3-1-2-4-9(8)17-12(20)10-15-7-16-18-10/h1-4,7H,5-6,13H2,(H,14,19)(H,17,20)(H,15,16,18).
What are the key properties of N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 274.28 g/mol, XLogP of -0.25, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 107000026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).