5,6-dimethyl-2,3-dihydro-1H-triazolo[4,5-d]pyrimidin-7-one

C6H9N5O — CID 143386784

IUPAC5,6-dimethyl-2,3-dihydro-1H-triazolo[4,5-d]pyrimidin-7-one
SMILESCc1nc2c(c(=O)n1C)NNN2
InChIInChI=1S/C6H9N5O/c1-3-7-5-4(8-10-9-5)6(12)11(3)2/h8-10H,1-2H3
InChIKeyDRKMGAAOIBXRPV-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.65
Rot. Bonds

About 5,6-dimethyl-2,3-dihydro-1H-triazolo[4,5-d]pyrimidin-7-one

5,6-dimethyl-2,3-dihydro-1H-triazolo[4,5-d]pyrimidin-7-one (PubChem CID 143386784) has the molecular formula C6H9N5O and a molecular weight of 167.17 g/mol. Its IUPAC name is 5,6-dimethyl-2,3-dihydro-1H-triazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5,6-dimethyl-2,3-dihydro-1H-triazolo[4,5-d]pyrimidin-7-one
PubChem CID143386784
Molecular FormulaC6H9N5O
Molecular Weight167.17 g/mol
Exact Mass167.08
IUPAC Name5,6-dimethyl-2,3-dihydro-1H-triazolo[4,5-d]pyrimidin-7-one
SMILESCc1nc2c(c(=O)n1C)NNN2
InChIInChI=1S/C6H9N5O/c1-3-7-5-4(8-10-9-5)6(12)11(3)2/h8-10H,1-2H3
InChIKeyDRKMGAAOIBXRPV-UHFFFAOYSA-N
XLogP-0.65
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2,3-dihydro-1H-triazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5,6-dimethyl-2,3-dihydro-1H-triazolo[4,5-d]pyrimidin-7-one (CID 143386784) is 5,6-dimethyl-2,3-dihydro-1H-triazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5,6-dimethyl-2,3-dihydro-1H-triazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5,6-dimethyl-2,3-dihydro-1H-triazolo[4,5-d]pyrimidin-7-one is Cc1nc2c(c(=O)n1C)NNN2.
What is the InChIKey of 5,6-dimethyl-2,3-dihydro-1H-triazolo[4,5-d]pyrimidin-7-one?
The InChIKey is DRKMGAAOIBXRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O/c1-3-7-5-4(8-10-9-5)6(12)11(3)2/h8-10H,1-2H3.
What are the key properties of 5,6-dimethyl-2,3-dihydro-1H-triazolo[4,5-d]pyrimidin-7-one?
5,6-dimethyl-2,3-dihydro-1H-triazolo[4,5-d]pyrimidin-7-one has a molecular weight of 167.17 g/mol, XLogP of -0.65, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2,3-dihydro-1H-triazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 143386784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).