N'-(cyclopropanecarbonyl)-2-phenyltriazole-4-carbohydrazide

C13H13N5O2 — CID 51175047

IUPACN'-(cyclopropanecarbonyl)-2-phenyltriazole-4-carbohydrazide
SMILESO=C(NNC(=O)C1CC1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C13H13N5O2/c19-12(9-6-7-9)15-16-13(20)11-8-14-18(17-11)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,15,19)(H,16,20)
InChIKeyLKKUIZMDSOZNLW-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.44
Rot. Bonds3

About N'-(cyclopropanecarbonyl)-2-phenyltriazole-4-carbohydrazide

N'-(cyclopropanecarbonyl)-2-phenyltriazole-4-carbohydrazide (PubChem CID 51175047) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is N'-(cyclopropanecarbonyl)-2-phenyltriazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(cyclopropanecarbonyl)-2-phenyltriazole-4-carbohydrazide
PubChem CID51175047
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC NameN'-(cyclopropanecarbonyl)-2-phenyltriazole-4-carbohydrazide
SMILESO=C(NNC(=O)C1CC1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C13H13N5O2/c19-12(9-6-7-9)15-16-13(20)11-8-14-18(17-11)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,15,19)(H,16,20)
InChIKeyLKKUIZMDSOZNLW-UHFFFAOYSA-N
XLogP0.44
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropanecarbonyl)-2-phenyltriazole-4-carbohydrazide?
The IUPAC name of N'-(cyclopropanecarbonyl)-2-phenyltriazole-4-carbohydrazide (CID 51175047) is N'-(cyclopropanecarbonyl)-2-phenyltriazole-4-carbohydrazide.
What is the SMILES notation for N'-(cyclopropanecarbonyl)-2-phenyltriazole-4-carbohydrazide?
The canonical SMILES for N'-(cyclopropanecarbonyl)-2-phenyltriazole-4-carbohydrazide is O=C(NNC(=O)C1CC1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N'-(cyclopropanecarbonyl)-2-phenyltriazole-4-carbohydrazide?
The InChIKey is LKKUIZMDSOZNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c19-12(9-6-7-9)15-16-13(20)11-8-14-18(17-11)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,15,19)(H,16,20).
What are the key properties of N'-(cyclopropanecarbonyl)-2-phenyltriazole-4-carbohydrazide?
N'-(cyclopropanecarbonyl)-2-phenyltriazole-4-carbohydrazide has a molecular weight of 271.28 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropanecarbonyl)-2-phenyltriazole-4-carbohydrazide is sourced from PubChem (CID 51175047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).