N-(2-chloro-5-nitrophenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide

C10H7ClN6O4 — CID 108513541

IUPACN-(2-chloro-5-nitrophenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
SMILESO=C(Nc1ncn[nH]1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C10H7ClN6O4/c11-6-2-1-5(17(20)21)3-7(6)14-8(18)9(19)15-10-12-4-13-16-10/h1-4H,(H,14,18)(H2,12,13,15,16,19)
InChIKeyQMIXGIDGAWUTQE-UHFFFAOYSA-N
MW310.66 g/mol
LogP0.94
Rot. Bonds3

About N-(2-chloro-5-nitrophenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide

N-(2-chloro-5-nitrophenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide (PubChem CID 108513541) has the molecular formula C10H7ClN6O4 and a molecular weight of 310.66 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
PubChem CID108513541
Molecular FormulaC10H7ClN6O4
Molecular Weight310.66 g/mol
Exact Mass310.02
IUPAC NameN-(2-chloro-5-nitrophenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
SMILESO=C(Nc1ncn[nH]1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C10H7ClN6O4/c11-6-2-1-5(17(20)21)3-7(6)14-8(18)9(19)15-10-12-4-13-16-10/h1-4H,(H,14,18)(H2,12,13,15,16,19)
InChIKeyQMIXGIDGAWUTQE-UHFFFAOYSA-N
XLogP0.94
TPSA142.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.66
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(2-chloro-5-nitrophenyl)-2-cyano-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide
CID 108853845
(2S)-N-(2-chloro-5-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 8933220
N'-(2-chloro-5-nitrophenyl)-N-(1H-indazol-6-yl)oxamide
CID 108513544
N-(2-chloro-5-nitrophenyl)-N'-(2,5-difluorophenyl)oxamide
CID 108513618
N'-(2-chloro-5-nitrophenyl)-N-(2-fluorophenyl)oxamide
CID 108513456
N,N'-bis(2-chloro-5-nitrophenyl)-2,2,3,3-tetrafluorobutanediamide
CID 3519654
2-bromo-5-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 55153172
N-(2-chloro-5-nitrophenyl)-N'-(3-methyl-2-pyridinyl)oxamide
CID 108513596
3-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 3807378
N'-(2-chloro-5-nitrophenyl)-N-(6-methyl-2-pyridinyl)oxamide
CID 108513496
[2-(2-chloro-5-nitroanilino)-2-oxoethyl]-trimethylazanium chloride
CID 11098862
2-(azetidin-3-ylidene)-N-(2-chloro-5-nitrophenyl)propanamide
CID 116675559

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide (CID 108513541) is N-(2-chloro-5-nitrophenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide is O=C(Nc1ncn[nH]1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide?
The InChIKey is QMIXGIDGAWUTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN6O4/c11-6-2-1-5(17(20)21)3-7(6)14-8(18)9(19)15-10-12-4-13-16-10/h1-4H,(H,14,18)(H2,12,13,15,16,19).
What are the key properties of N-(2-chloro-5-nitrophenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide?
N-(2-chloro-5-nitrophenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide has a molecular weight of 310.66 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide is sourced from PubChem (CID 108513541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).