3-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1H-1,2,4-triazole-5-carboxamide

C12H14N6O3 — CID 62808072

IUPAC3-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCNC(=O)COc1cccc(NC(=O)c2nc(N)n[nH]2)c1
InChIInChI=1S/C12H14N6O3/c1-14-9(19)6-21-8-4-2-3-7(5-8)15-11(20)10-16-12(13)18-17-10/h2-5H,6H2,1H3,(H,14,19)(H,15,20)(H3,13,16,17,18)
InChIKeyGONSMOYYCOPAQG-UHFFFAOYSA-N
MW290.28 g/mol
LogP-0.24
Rot. Bonds5

About 3-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62808072) has the molecular formula C12H14N6O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 3-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID62808072
Molecular FormulaC12H14N6O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name3-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCNC(=O)COc1cccc(NC(=O)c2nc(N)n[nH]2)c1
InChIInChI=1S/C12H14N6O3/c1-14-9(19)6-21-8-4-2-3-7(5-8)15-11(20)10-16-12(13)18-17-10/h2-5H,6H2,1H3,(H,14,19)(H,15,20)(H3,13,16,17,18)
InChIKeyGONSMOYYCOPAQG-UHFFFAOYSA-N
XLogP-0.24
TPSA135.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[3-(2-methylpropoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62808459
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]pyridine-4-carboxamide
CID 34273229
N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide
CID 62793864
2-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 43705402
3-amino-N-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62806279
3-hydroxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]pyridine-2-carboxamide
CID 51105835
3,5-dimethoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide
CID 38737983
2-bromo-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]butanamide
CID 62855576
4-methyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 34264864
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 46473887
3-amino-N-(1H-indazol-5-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807012
2-[3-(butylcarbamoylamino)phenoxy]-N-methylacetamide
CID 47202622

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1H-1,2,4-triazole-5-carboxamide (CID 62808072) is 3-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1H-1,2,4-triazole-5-carboxamide is CNC(=O)COc1cccc(NC(=O)c2nc(N)n[nH]2)c1.
What is the InChIKey of 3-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is GONSMOYYCOPAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O3/c1-14-9(19)6-21-8-4-2-3-7(5-8)15-11(20)10-16-12(13)18-17-10/h2-5H,6H2,1H3,(H,14,19)(H,15,20)(H3,13,16,17,18).
What are the key properties of 3-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 290.28 g/mol, XLogP of -0.24, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62808072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).