N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-9H-xanthene-9-carboxamide

C21H15N5O2 — CID 39992452

IUPACN-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-9H-xanthene-9-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H15N5O2/c27-21(25-14-9-10-19(23-11-14)26-13-22-12-24-26)20-15-5-1-3-7-17(15)28-18-8-4-2-6-16(18)20/h1-13,20H,(H,25,27)
InChIKeyMEMWDOKAAWZAQQ-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.54
Rot. Bonds3

About N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-9H-xanthene-9-carboxamide

N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-9H-xanthene-9-carboxamide (PubChem CID 39992452) has the molecular formula C21H15N5O2 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-9H-xanthene-9-carboxamide
PubChem CID39992452
Molecular FormulaC21H15N5O2
Molecular Weight369.38 g/mol
Exact Mass369.12
IUPAC NameN-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-9H-xanthene-9-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H15N5O2/c27-21(25-14-9-10-19(23-11-14)26-13-22-12-24-26)20-15-5-1-3-7-17(15)28-18-8-4-2-6-16(18)20/h1-13,20H,(H,25,27)
InChIKeyMEMWDOKAAWZAQQ-UHFFFAOYSA-N
XLogP3.54
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-9H-xanthene-9-carboxamide (CID 39992452) is N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-9H-xanthene-9-carboxamide is O=C(Nc1ccc(-n2cncn2)nc1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-9H-xanthene-9-carboxamide?
The InChIKey is MEMWDOKAAWZAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2/c27-21(25-14-9-10-19(23-11-14)26-13-22-12-24-26)20-15-5-1-3-7-17(15)28-18-8-4-2-6-16(18)20/h1-13,20H,(H,25,27).
What are the key properties of N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-9H-xanthene-9-carboxamide?
N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-9H-xanthene-9-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 39992452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).