3-amino-N-[(2,5-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide

C12H15N5O3 — CID 62793362

IUPAC3-amino-N-[(2,5-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2nc(N)n[nH]2)c1
InChIInChI=1S/C12H15N5O3/c1-19-8-3-4-9(20-2)7(5-8)6-14-11(18)10-15-12(13)17-16-10/h3-5H,6H2,1-2H3,(H,14,18)(H3,13,15,16,17)
InChIKeyVKOSXRUWKFGBQX-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.33
Rot. Bonds5

About 3-amino-N-[(2,5-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[(2,5-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62793362) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-amino-N-[(2,5-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2,5-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID62793362
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name3-amino-N-[(2,5-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2nc(N)n[nH]2)c1
InChIInChI=1S/C12H15N5O3/c1-19-8-3-4-9(20-2)7(5-8)6-14-11(18)10-15-12(13)17-16-10/h3-5H,6H2,1-2H3,(H,14,18)(H3,13,15,16,17)
InChIKeyVKOSXRUWKFGBQX-UHFFFAOYSA-N
XLogP0.33
TPSA115.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807152
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806802
3-amino-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide
CID 5391799
4-amino-N-[(2,5-dimethoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61113758
3-amino-N-(4-methoxy-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62873358
2-(2-aminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120619873
N-[(2,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 34866358
(2S)-2-amino-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119278486
N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide
CID 33097699
4-amino-N-[(2,5-dimethoxyphenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 53141242
5-bromo-N-[(2,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954388

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,5-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(2,5-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide (CID 62793362) is 3-amino-N-[(2,5-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(2,5-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(2,5-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide is COc1ccc(OC)c(CNC(=O)c2nc(N)n[nH]2)c1.
What is the InChIKey of 3-amino-N-[(2,5-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is VKOSXRUWKFGBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-19-8-3-4-9(20-2)7(5-8)6-14-11(18)10-15-12(13)17-16-10/h3-5H,6H2,1-2H3,(H,14,18)(H3,13,15,16,17).
What are the key properties of 3-amino-N-[(2,5-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 277.28 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,5-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62793362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).