3-amino-4-ethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

C13H17N5O2 — CID 64510575

IUPAC3-amino-4-ethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESCCOc1ccc(C(=O)N(C)Cc2ncn[nH]2)cc1N
InChIInChI=1S/C13H17N5O2/c1-3-20-11-5-4-9(6-10(11)14)13(19)18(2)7-12-15-8-16-17-12/h4-6,8H,3,7,14H2,1-2H3,(H,15,16,17)
InChIKeyKYPJEXJXCUJCPZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.06
Rot. Bonds5

About 3-amino-4-ethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

3-amino-4-ethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (PubChem CID 64510575) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-amino-4-ethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-ethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
PubChem CID64510575
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name3-amino-4-ethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESCCOc1ccc(C(=O)N(C)Cc2ncn[nH]2)cc1N
InChIInChI=1S/C13H17N5O2/c1-3-20-11-5-4-9(6-10(11)14)13(19)18(2)7-12-15-8-16-17-12/h4-6,8H,3,7,14H2,1-2H3,(H,15,16,17)
InChIKeyKYPJEXJXCUJCPZ-UHFFFAOYSA-N
XLogP1.06
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64510321
4-ethoxy-3-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64510859
3-amino-4-ethoxy-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64512332
4-methoxy-N-methyl-3-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64511043
3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide
CID 61127519
3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512231
2-amino-N,6-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 113379111
2-amino-6-chloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 64517569
3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide
CID 64518259
N,3-dimethyl-4-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512232
3,4,5-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64511269
2,6-dichloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 64516867

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The IUPAC name of 3-amino-4-ethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (CID 64510575) is 3-amino-4-ethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-4-ethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The canonical SMILES for 3-amino-4-ethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is CCOc1ccc(C(=O)N(C)Cc2ncn[nH]2)cc1N.
What is the InChIKey of 3-amino-4-ethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The InChIKey is KYPJEXJXCUJCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-3-20-11-5-4-9(6-10(11)14)13(19)18(2)7-12-15-8-16-17-12/h4-6,8H,3,7,14H2,1-2H3,(H,15,16,17).
What are the key properties of 3-amino-4-ethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
3-amino-4-ethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide has a molecular weight of 275.31 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is sourced from PubChem (CID 64510575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).