N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylpropanamide

C12H14N4O2 — CID 83092837

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylpropanamide
SMILESCOc1n[nH]c(NC(=O)CCc2ccccc2)n1
InChIInChI=1S/C12H14N4O2/c1-18-12-14-11(15-16-12)13-10(17)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,13,14,15,16,17)
InChIKeyCARZUPVNSJZDAP-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.38
Rot. Bonds5

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylpropanamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylpropanamide (PubChem CID 83092837) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylpropanamide
PubChem CID83092837
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylpropanamide
SMILESCOc1n[nH]c(NC(=O)CCc2ccccc2)n1
InChIInChI=1S/C12H14N4O2/c1-18-12-14-11(15-16-12)13-10(17)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,13,14,15,16,17)
InChIKeyCARZUPVNSJZDAP-UHFFFAOYSA-N
XLogP1.38
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide
CID 83100975
2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83093707
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 83097528
2-(1H-indol-3-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83093520
(E)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide
CID 83092558
2-(2,3-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83101153
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyacetamide
CID 112603305
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603304
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyrazol-1-ylacetamide
CID 83093046
3-(3,4-difluorophenyl)sulfanyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide
CID 83097728
2-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83092939
4-(chloromethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83102350

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylpropanamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylpropanamide (CID 83092837) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylpropanamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylpropanamide is COc1n[nH]c(NC(=O)CCc2ccccc2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylpropanamide?
The InChIKey is CARZUPVNSJZDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-18-12-14-11(15-16-12)13-10(17)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,13,14,15,16,17).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylpropanamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylpropanamide has a molecular weight of 246.27 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylpropanamide is sourced from PubChem (CID 83092837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).