(2R)-2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide

C12H11N5O2 — CID 30866427

IUPAC(2R)-2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C12H11N5O2/c1-8(11(18)16-12-14-7-15-17-12)19-10-4-2-9(6-13)3-5-10/h2-5,7-8H,1H3,(H2,14,15,16,17,18)/t8-/m1/s1
InChIKeyIFAIONATXLJMEE-MRVPVSSYSA-N
MW257.25 g/mol
LogP1.08
Rot. Bonds4

About (2R)-2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide

(2R)-2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 30866427) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is (2R)-2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID30866427
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name(2R)-2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C12H11N5O2/c1-8(11(18)16-12-14-7-15-17-12)19-10-4-2-9(6-13)3-5-10/h2-5,7-8H,1H3,(H2,14,15,16,17,18)/t8-/m1/s1
InChIKeyIFAIONATXLJMEE-MRVPVSSYSA-N
XLogP1.08
TPSA103.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-cyanophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 94796234
2-methoxy-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 115589055
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
4-cyano-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30866073
2-(4-cyanophenoxy)-N-(3-hydroxy-2-pyridinyl)propanamide
CID 51188816
(2R)-2-(4-cyanophenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 40953055
N-(5-chloro-2-pyridinyl)-2-(4-cyanophenoxy)propanamide
CID 51140376
(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729
2-(4-cyanophenoxy)-N-(2-hydroxyphenyl)propanamide
CID 46665197
(2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide
CID 7503268
(2S)-2-(4-cyanophenoxy)-N-(4-pyrimidin-2-ylphenyl)propanamide
CID 95310417
(2S)-2-(4-cyanophenoxy)-N-(5,5-dimethyl-2-oxo-1H-imidazol-4-yl)propanamide
CID 95975207

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of (2R)-2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 30866427) is (2R)-2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide is C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ncn[nH]1.
What is the InChIKey of (2R)-2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is IFAIONATXLJMEE-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-8(11(18)16-12-14-7-15-17-12)19-10-4-2-9(6-13)3-5-10/h2-5,7-8H,1H3,(H2,14,15,16,17,18)/t8-/m1/s1.
What are the key properties of (2R)-2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide?
(2R)-2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 257.25 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 30866427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).