5-anilino-N-(4-propan-2-ylphenyl)triazolidine-4-carboxamide

C18H23N5O — CID 75974353

IUPAC5-anilino-N-(4-propan-2-ylphenyl)triazolidine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2NNNC2Nc2ccccc2)cc1
InChIInChI=1S/C18H23N5O/c1-12(2)13-8-10-15(11-9-13)20-18(24)16-17(22-23-21-16)19-14-6-4-3-5-7-14/h3-12,16-17,19,21-23H,1-2H3,(H,20,24)
InChIKeyHKBGZROXBWLDGE-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.17
Rot. Bonds5

About 5-anilino-N-(4-propan-2-ylphenyl)triazolidine-4-carboxamide

5-anilino-N-(4-propan-2-ylphenyl)triazolidine-4-carboxamide (PubChem CID 75974353) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 5-anilino-N-(4-propan-2-ylphenyl)triazolidine-4-carboxamide.

Molecular Properties

Compound Name5-anilino-N-(4-propan-2-ylphenyl)triazolidine-4-carboxamide
PubChem CID75974353
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name5-anilino-N-(4-propan-2-ylphenyl)triazolidine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2NNNC2Nc2ccccc2)cc1
InChIInChI=1S/C18H23N5O/c1-12(2)13-8-10-15(11-9-13)20-18(24)16-17(22-23-21-16)19-14-6-4-3-5-7-14/h3-12,16-17,19,21-23H,1-2H3,(H,20,24)
InChIKeyHKBGZROXBWLDGE-UHFFFAOYSA-N
XLogP2.17
TPSA77.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

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5-(benzenesulfonamido)-N-(4-nitrophenyl)triazolidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-anilino-N-(4-propan-2-ylphenyl)triazolidine-4-carboxamide?
The IUPAC name of 5-anilino-N-(4-propan-2-ylphenyl)triazolidine-4-carboxamide (CID 75974353) is 5-anilino-N-(4-propan-2-ylphenyl)triazolidine-4-carboxamide.
What is the SMILES notation for 5-anilino-N-(4-propan-2-ylphenyl)triazolidine-4-carboxamide?
The canonical SMILES for 5-anilino-N-(4-propan-2-ylphenyl)triazolidine-4-carboxamide is CC(C)c1ccc(NC(=O)C2NNNC2Nc2ccccc2)cc1.
What is the InChIKey of 5-anilino-N-(4-propan-2-ylphenyl)triazolidine-4-carboxamide?
The InChIKey is HKBGZROXBWLDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-12(2)13-8-10-15(11-9-13)20-18(24)16-17(22-23-21-16)19-14-6-4-3-5-7-14/h3-12,16-17,19,21-23H,1-2H3,(H,20,24).
What are the key properties of 5-anilino-N-(4-propan-2-ylphenyl)triazolidine-4-carboxamide?
5-anilino-N-(4-propan-2-ylphenyl)triazolidine-4-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-N-(4-propan-2-ylphenyl)triazolidine-4-carboxamide is sourced from PubChem (CID 75974353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).