N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide

C20H17Cl2N5O2 — CID 46666855

IUPACN'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
SMILESCC1(C(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1(Cl)Cl
InChIInChI=1S/C20H17Cl2N5O2/c1-19(12-20(19,21)22)18(29)25-24-17(28)15-23-16(13-8-4-2-5-9-13)27(26-15)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,24,28)(H,25,29)
InChIKeyUTQVDIMFSRFXOD-UHFFFAOYSA-N
MW430.30 g/mol
LogP3.28
Rot. Bonds4

About N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide

N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide (PubChem CID 46666855) has the molecular formula C20H17Cl2N5O2 and a molecular weight of 430.30 g/mol. Its IUPAC name is N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
PubChem CID46666855
Molecular FormulaC20H17Cl2N5O2
Molecular Weight430.30 g/mol
Exact Mass429.08
IUPAC NameN'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
SMILESCC1(C(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1(Cl)Cl
InChIInChI=1S/C20H17Cl2N5O2/c1-19(12-20(19,21)22)18(29)25-24-17(28)15-23-16(13-8-4-2-5-9-13)27(26-15)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,24,28)(H,25,29)
InChIKeyUTQVDIMFSRFXOD-UHFFFAOYSA-N
XLogP3.28
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide?
The IUPAC name of N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide (CID 46666855) is N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide.
What is the SMILES notation for N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide?
The canonical SMILES for N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide is CC1(C(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1(Cl)Cl.
What is the InChIKey of N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide?
The InChIKey is UTQVDIMFSRFXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N5O2/c1-19(12-20(19,21)22)18(29)25-24-17(28)15-23-16(13-8-4-2-5-9-13)27(26-15)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide?
N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide has a molecular weight of 430.30 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide is sourced from PubChem (CID 46666855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).