2-amino-6-ethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

C13H17N5O2 — CID 81420466

IUPAC2-amino-6-ethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCCOc1cccc(N)c1C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C13H17N5O2/c1-2-20-10-5-3-4-9(14)12(10)13(19)15-7-6-11-16-8-17-18-11/h3-5,8H,2,6-7,14H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyFKYWHVNWNBCJQJ-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.76
Rot. Bonds6

About 2-amino-6-ethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

2-amino-6-ethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (PubChem CID 81420466) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-amino-6-ethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-6-ethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
PubChem CID81420466
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-amino-6-ethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCCOc1cccc(N)c1C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C13H17N5O2/c1-2-20-10-5-3-4-9(14)12(10)13(19)15-7-6-11-16-8-17-18-11/h3-5,8H,2,6-7,14H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyFKYWHVNWNBCJQJ-UHFFFAOYSA-N
XLogP0.76
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 81420398
2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103769288
2-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide
CID 106233209
2-amino-6-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 81420789
2-fluoro-6-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 104919903
2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide
CID 81420510
methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate
CID 81410265
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64517006
2-amino-6-ethoxy-N-hex-5-ynylbenzamide
CID 106208141
2-amino-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 114464773
2-amino-6-ethoxy-N-[3-(methanesulfonamido)propyl]benzamide
CID 106332674
3-amino-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64518359

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-amino-6-ethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (CID 81420466) is 2-amino-6-ethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-amino-6-ethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-amino-6-ethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is CCOc1cccc(N)c1C(=O)NCCc1ncn[nH]1.
What is the InChIKey of 2-amino-6-ethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The InChIKey is FKYWHVNWNBCJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-20-10-5-3-4-9(14)12(10)13(19)15-7-6-11-16-8-17-18-11/h3-5,8H,2,6-7,14H2,1H3,(H,15,19)(H,16,17,18).
What are the key properties of 2-amino-6-ethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
2-amino-6-ethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide has a molecular weight of 275.31 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 81420466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).