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

C11H11N5O3 — CID 895114

IUPAC(2R)-2-(4-nitrophenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ncn[nH]1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H11N5O3/c1-7(10(17)14-11-12-6-13-15-11)8-2-4-9(5-3-8)16(18)19/h2-7H,1H3,(H2,12,13,14,15,17)/t7-/m1/s1
InChIKeyDZZDPZKEIKWDFO-SSDOTTSWSA-N
MW261.24 g/mol
LogP1.46
Rot. Bonds4

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

(2R)-2-(4-nitrophenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 895114) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is (2R)-2-(4-nitrophenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-nitrophenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID895114
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name(2R)-2-(4-nitrophenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ncn[nH]1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H11N5O3/c1-7(10(17)14-11-12-6-13-15-11)8-2-4-9(5-3-8)16(18)19/h2-7H,1H3,(H2,12,13,14,15,17)/t7-/m1/s1
InChIKeyDZZDPZKEIKWDFO-SSDOTTSWSA-N
XLogP1.46
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2-chlorophenyl)-2-(4-nitrophenyl)propanamide
CID 895147
2-bromo-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 82110523
1-(4-nitrophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 64548130
(2R)-N-tert-butyl-2-(4-nitrophenyl)propanamide
CID 966380
(2R)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
CID 2111459
(2S)-N-(2-bromophenyl)-2-(4-nitrophenyl)propanamide
CID 895338
(2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
CID 2111458
(2R)-N-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)propanamide
CID 2111469
2-bromo-5-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 55153172
3-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 3807378
N-(2-cyanophenyl)-2-(4-nitrophenyl)propanamide
CID 2944727
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-nitrophenyl)propanamide
CID 67308595

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-nitrophenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of (2R)-2-(4-nitrophenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 895114) is (2R)-2-(4-nitrophenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-nitrophenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-(4-nitrophenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide is C[C@@H](C(=O)Nc1ncn[nH]1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-2-(4-nitrophenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is DZZDPZKEIKWDFO-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-7(10(17)14-11-12-6-13-15-11)8-2-4-9(5-3-8)16(18)19/h2-7H,1H3,(H2,12,13,14,15,17)/t7-/m1/s1.
What are the key properties of (2R)-2-(4-nitrophenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
(2R)-2-(4-nitrophenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 261.24 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-nitrophenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 895114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).