4-anilino-7-chloro-[1,2,4]triazolo[1,5-a]quinazolin-5-one

C15H10ClN5O — CID 102475572

IUPAC4-anilino-7-chloro-[1,2,4]triazolo[1,5-a]quinazolin-5-one
SMILESO=c1c2cc(Cl)ccc2n2ncnc2n1Nc1ccccc1
InChIInChI=1S/C15H10ClN5O/c16-10-6-7-13-12(8-10)14(22)21(15-17-9-18-20(13)15)19-11-4-2-1-3-5-11/h1-9,19H
InChIKeyDLCUQWGAAQXXPU-UHFFFAOYSA-N
MW311.73 g/mol
LogP2.57
Rot. Bonds2

About 4-anilino-7-chloro-[1,2,4]triazolo[1,5-a]quinazolin-5-one

4-anilino-7-chloro-[1,2,4]triazolo[1,5-a]quinazolin-5-one (PubChem CID 102475572) has the molecular formula C15H10ClN5O and a molecular weight of 311.73 g/mol. Its IUPAC name is 4-anilino-7-chloro-[1,2,4]triazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name4-anilino-7-chloro-[1,2,4]triazolo[1,5-a]quinazolin-5-one
PubChem CID102475572
Molecular FormulaC15H10ClN5O
Molecular Weight311.73 g/mol
Exact Mass311.06
IUPAC Name4-anilino-7-chloro-[1,2,4]triazolo[1,5-a]quinazolin-5-one
SMILESO=c1c2cc(Cl)ccc2n2ncnc2n1Nc1ccccc1
InChIInChI=1S/C15H10ClN5O/c16-10-6-7-13-12(8-10)14(22)21(15-17-9-18-20(13)15)19-11-4-2-1-3-5-11/h1-9,19H
InChIKeyDLCUQWGAAQXXPU-UHFFFAOYSA-N
XLogP2.57
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-7-chloro-[1,2,4]triazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 4-anilino-7-chloro-[1,2,4]triazolo[1,5-a]quinazolin-5-one (CID 102475572) is 4-anilino-7-chloro-[1,2,4]triazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 4-anilino-7-chloro-[1,2,4]triazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 4-anilino-7-chloro-[1,2,4]triazolo[1,5-a]quinazolin-5-one is O=c1c2cc(Cl)ccc2n2ncnc2n1Nc1ccccc1.
What is the InChIKey of 4-anilino-7-chloro-[1,2,4]triazolo[1,5-a]quinazolin-5-one?
The InChIKey is DLCUQWGAAQXXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5O/c16-10-6-7-13-12(8-10)14(22)21(15-17-9-18-20(13)15)19-11-4-2-1-3-5-11/h1-9,19H.
What are the key properties of 4-anilino-7-chloro-[1,2,4]triazolo[1,5-a]quinazolin-5-one?
4-anilino-7-chloro-[1,2,4]triazolo[1,5-a]quinazolin-5-one has a molecular weight of 311.73 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-7-chloro-[1,2,4]triazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 102475572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).