N-(1,2,4-triazol-4-yl)-9H-xanthene-9-carboxamide

C16H12N4O2 — CID 4108893

IUPACN-(1,2,4-triazol-4-yl)-9H-xanthene-9-carboxamide
SMILESO=C(Nn1cnnc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C16H12N4O2/c21-16(19-20-9-17-18-10-20)15-11-5-1-3-7-13(11)22-14-8-4-2-6-12(14)15/h1-10,15H,(H,19,21)
InChIKeyXUBCTJVAQMSLOP-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.29
Rot. Bonds2

About N-(1,2,4-triazol-4-yl)-9H-xanthene-9-carboxamide

N-(1,2,4-triazol-4-yl)-9H-xanthene-9-carboxamide (PubChem CID 4108893) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-(1,2,4-triazol-4-yl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(1,2,4-triazol-4-yl)-9H-xanthene-9-carboxamide
PubChem CID4108893
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC NameN-(1,2,4-triazol-4-yl)-9H-xanthene-9-carboxamide
SMILESO=C(Nn1cnnc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C16H12N4O2/c21-16(19-20-9-17-18-10-20)15-11-5-1-3-7-13(11)22-14-8-4-2-6-12(14)15/h1-10,15H,(H,19,21)
InChIKeyXUBCTJVAQMSLOP-UHFFFAOYSA-N
XLogP2.29
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-triazol-4-yl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(1,2,4-triazol-4-yl)-9H-xanthene-9-carboxamide (CID 4108893) is N-(1,2,4-triazol-4-yl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(1,2,4-triazol-4-yl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(1,2,4-triazol-4-yl)-9H-xanthene-9-carboxamide is O=C(Nn1cnnc1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(1,2,4-triazol-4-yl)-9H-xanthene-9-carboxamide?
The InChIKey is XUBCTJVAQMSLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c21-16(19-20-9-17-18-10-20)15-11-5-1-3-7-13(11)22-14-8-4-2-6-12(14)15/h1-10,15H,(H,19,21).
What are the key properties of N-(1,2,4-triazol-4-yl)-9H-xanthene-9-carboxamide?
N-(1,2,4-triazol-4-yl)-9H-xanthene-9-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-triazol-4-yl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 4108893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).