4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide

C13H17N5O2 — CID 106301571

IUPAC4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide
SMILESCCn1cnnc1CNC(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C13H17N5O2/c1-3-18-8-16-17-12(18)7-15-13(19)9-4-5-10(14)11(6-9)20-2/h4-6,8H,3,7,14H2,1-2H3,(H,15,19)
InChIKeyFCVOBZMQNAHQAP-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.82
Rot. Bonds5

About 4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide

4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide (PubChem CID 106301571) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide
PubChem CID106301571
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide
SMILESCCn1cnnc1CNC(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C13H17N5O2/c1-3-18-8-16-17-12(18)7-15-13(19)9-4-5-10(14)11(6-9)20-2/h4-6,8H,3,7,14H2,1-2H3,(H,15,19)
InChIKeyFCVOBZMQNAHQAP-UHFFFAOYSA-N
XLogP0.82
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-fluorobenzamide
CID 103813824
4-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide;dihydrochloride
CID 119855022
3-amino-5-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 106301578
4-amino-3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 104783069
3-amino-5-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 106301599
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
methyl 3-amino-4-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]benzoate
CID 106304059
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxy-5-phenylthiophene-2-carboxamide
CID 51087309
2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylbenzamide
CID 106301555
5-amino-2-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 106301570
4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide
CID 104782310
4-amino-N-[2-(diethylamino)ethyl]-3-methoxybenzamide
CID 58155168

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide?
The IUPAC name of 4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide (CID 106301571) is 4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide is CCn1cnnc1CNC(=O)c1ccc(N)c(OC)c1.
What is the InChIKey of 4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide?
The InChIKey is FCVOBZMQNAHQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-3-18-8-16-17-12(18)7-15-13(19)9-4-5-10(14)11(6-9)20-2/h4-6,8H,3,7,14H2,1-2H3,(H,15,19).
What are the key properties of 4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide?
4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide has a molecular weight of 275.31 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 106301571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).