7-hydroxy-2-methyl-6,7-dihydro-4H-triazolo[4,5-d]pyrimidin-5-one

C5H7N5O2 — CID 137186212

IUPAC7-hydroxy-2-methyl-6,7-dihydro-4H-triazolo[4,5-d]pyrimidin-5-one
SMILESCn1nc2c(n1)C(O)NC(=O)N2
InChIInChI=1S/C5H7N5O2/c1-10-8-2-3(9-10)6-5(12)7-4(2)11/h4,11H,1H3,(H2,6,7,9,12)
InChIKeyCBSALTUKUWIPPI-UHFFFAOYSA-N
MW169.14 g/mol
LogP-1.06
Rot. Bonds

About 7-hydroxy-2-methyl-6,7-dihydro-4H-triazolo[4,5-d]pyrimidin-5-one

7-hydroxy-2-methyl-6,7-dihydro-4H-triazolo[4,5-d]pyrimidin-5-one (PubChem CID 137186212) has the molecular formula C5H7N5O2 and a molecular weight of 169.14 g/mol. Its IUPAC name is 7-hydroxy-2-methyl-6,7-dihydro-4H-triazolo[4,5-d]pyrimidin-5-one.

Molecular Properties

Compound Name7-hydroxy-2-methyl-6,7-dihydro-4H-triazolo[4,5-d]pyrimidin-5-one
PubChem CID137186212
Molecular FormulaC5H7N5O2
Molecular Weight169.14 g/mol
Exact Mass169.06
IUPAC Name7-hydroxy-2-methyl-6,7-dihydro-4H-triazolo[4,5-d]pyrimidin-5-one
SMILESCn1nc2c(n1)C(O)NC(=O)N2
InChIInChI=1S/C5H7N5O2/c1-10-8-2-3(9-10)6-5(12)7-4(2)11/h4,11H,1H3,(H2,6,7,9,12)
InChIKeyCBSALTUKUWIPPI-UHFFFAOYSA-N
XLogP-1.06
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-methyl-6,7-dihydro-4H-triazolo[4,5-d]pyrimidin-5-one?
The IUPAC name of 7-hydroxy-2-methyl-6,7-dihydro-4H-triazolo[4,5-d]pyrimidin-5-one (CID 137186212) is 7-hydroxy-2-methyl-6,7-dihydro-4H-triazolo[4,5-d]pyrimidin-5-one.
What is the SMILES notation for 7-hydroxy-2-methyl-6,7-dihydro-4H-triazolo[4,5-d]pyrimidin-5-one?
The canonical SMILES for 7-hydroxy-2-methyl-6,7-dihydro-4H-triazolo[4,5-d]pyrimidin-5-one is Cn1nc2c(n1)C(O)NC(=O)N2.
What is the InChIKey of 7-hydroxy-2-methyl-6,7-dihydro-4H-triazolo[4,5-d]pyrimidin-5-one?
The InChIKey is CBSALTUKUWIPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O2/c1-10-8-2-3(9-10)6-5(12)7-4(2)11/h4,11H,1H3,(H2,6,7,9,12).
What are the key properties of 7-hydroxy-2-methyl-6,7-dihydro-4H-triazolo[4,5-d]pyrimidin-5-one?
7-hydroxy-2-methyl-6,7-dihydro-4H-triazolo[4,5-d]pyrimidin-5-one has a molecular weight of 169.14 g/mol, XLogP of -1.06, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-methyl-6,7-dihydro-4H-triazolo[4,5-d]pyrimidin-5-one is sourced from PubChem (CID 137186212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).