2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one

C9H6N4O — CID 10012648

IUPAC2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one
SMILESO=c1[nH]nc2c3ccccc3ncn12
InChIInChI=1S/C9H6N4O/c14-9-12-11-8-6-3-1-2-4-7(6)10-5-13(8)9/h1-5H,(H,12,14)
InChIKeyZIFGHZKQEPXMIQ-UHFFFAOYSA-N
MW186.17 g/mol
LogP0.57
Rot. Bonds

About 2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one

2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one (PubChem CID 10012648) has the molecular formula C9H6N4O and a molecular weight of 186.17 g/mol. Its IUPAC name is 2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one.

Molecular Properties

Compound Name2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one
PubChem CID10012648
Molecular FormulaC9H6N4O
Molecular Weight186.17 g/mol
Exact Mass186.05
IUPAC Name2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one
SMILESO=c1[nH]nc2c3ccccc3ncn12
InChIInChI=1S/C9H6N4O/c14-9-12-11-8-6-3-1-2-4-7(6)10-5-13(8)9/h1-5H,(H,12,14)
InChIKeyZIFGHZKQEPXMIQ-UHFFFAOYSA-N
XLogP0.57
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
The IUPAC name of 2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one (CID 10012648) is 2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one.
What is the SMILES notation for 2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
The canonical SMILES for 2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one is O=c1[nH]nc2c3ccccc3ncn12.
What is the InChIKey of 2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
The InChIKey is ZIFGHZKQEPXMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O/c14-9-12-11-8-6-3-1-2-4-7(6)10-5-13(8)9/h1-5H,(H,12,14).
What are the key properties of 2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one has a molecular weight of 186.17 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one is sourced from PubChem (CID 10012648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).