8,9-dichloro-2,6-dihydro-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione

C9H4Cl2N4O2 — CID 135409416

IUPAC8,9-dichloro-2,6-dihydro-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione
SMILESO=c1[nH]nc2c3cc(Cl)c(Cl)cc3[nH]c(=O)n12
InChIInChI=1S/C9H4Cl2N4O2/c10-4-1-3-6(2-5(4)11)12-8(16)15-7(3)13-14-9(15)17/h1-2H,(H,12,16)(H,14,17)
InChIKeyDLRVVXVXNOJXPE-UHFFFAOYSA-N
MW271.06 g/mol
LogP1.17
Rot. Bonds

About 8,9-dichloro-2,6-dihydro-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione

8,9-dichloro-2,6-dihydro-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione (PubChem CID 135409416) has the molecular formula C9H4Cl2N4O2 and a molecular weight of 271.06 g/mol. Its IUPAC name is 8,9-dichloro-2,6-dihydro-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione.

Molecular Properties

Compound Name8,9-dichloro-2,6-dihydro-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione
PubChem CID135409416
Molecular FormulaC9H4Cl2N4O2
Molecular Weight271.06 g/mol
Exact Mass269.97
IUPAC Name8,9-dichloro-2,6-dihydro-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione
SMILESO=c1[nH]nc2c3cc(Cl)c(Cl)cc3[nH]c(=O)n12
InChIInChI=1S/C9H4Cl2N4O2/c10-4-1-3-6(2-5(4)11)12-8(16)15-7(3)13-14-9(15)17/h1-2H,(H,12,16)(H,14,17)
InChIKeyDLRVVXVXNOJXPE-UHFFFAOYSA-N
XLogP1.17
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.06
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8,9-dichloro-2,6-dihydro-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione?
The IUPAC name of 8,9-dichloro-2,6-dihydro-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione (CID 135409416) is 8,9-dichloro-2,6-dihydro-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione.
What is the SMILES notation for 8,9-dichloro-2,6-dihydro-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione?
The canonical SMILES for 8,9-dichloro-2,6-dihydro-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione is O=c1[nH]nc2c3cc(Cl)c(Cl)cc3[nH]c(=O)n12.
What is the InChIKey of 8,9-dichloro-2,6-dihydro-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione?
The InChIKey is DLRVVXVXNOJXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2N4O2/c10-4-1-3-6(2-5(4)11)12-8(16)15-7(3)13-14-9(15)17/h1-2H,(H,12,16)(H,14,17).
What are the key properties of 8,9-dichloro-2,6-dihydro-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione?
8,9-dichloro-2,6-dihydro-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione has a molecular weight of 271.06 g/mol, XLogP of 1.17, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dichloro-2,6-dihydro-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione is sourced from PubChem (CID 135409416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).