N-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide

C12H14N4O3 — CID 47338634

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn[nH]n2)c(OC)c1
InChIInChI=1S/C12H14N4O3/c1-18-9-4-3-8(11(5-9)19-2)6-13-12(17)10-7-14-16-15-10/h3-5,7H,6H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyFDCDUJUVDXFMDU-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.75
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide (PubChem CID 47338634) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide
PubChem CID47338634
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn[nH]n2)c(OC)c1
InChIInChI=1S/C12H14N4O3/c1-18-9-4-3-8(11(5-9)19-2)6-13-12(17)10-7-14-16-15-10/h3-5,7H,6H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyFDCDUJUVDXFMDU-UHFFFAOYSA-N
XLogP0.75
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide
CID 146080495
(2,4-dimethoxyphenyl)methylurea
CID 53362457
1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 71654828
N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide
CID 175482811
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762837
4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 81235643
N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2H-triazole-4-carboxamide
CID 56892863
N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide
CID 46590232
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 43389932
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024506

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide (CID 47338634) is N-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide is COc1ccc(CNC(=O)c2cn[nH]n2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide?
The InChIKey is FDCDUJUVDXFMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-18-9-4-3-8(11(5-9)19-2)6-13-12(17)10-7-14-16-15-10/h3-5,7H,6H2,1-2H3,(H,13,17)(H,14,15,16).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 47338634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).