1,5-dimethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

C10H14N4O — CID 135832631

IUPAC1,5-dimethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(C)nc12
InChIInChI=1S/C10H14N4O/c1-4-5-7-8-9(14(3)13-7)10(15)12-6(2)11-8/h4-5H2,1-3H3,(H,11,12,15)
InChIKeyUHNSLPQFIBCBDW-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.92
Rot. Bonds2

About 1,5-dimethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

1,5-dimethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135832631) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 1,5-dimethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1,5-dimethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135832631
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name1,5-dimethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(C)nc12
InChIInChI=1S/C10H14N4O/c1-4-5-7-8-9(14(3)13-7)10(15)12-6(2)11-8/h4-5H2,1-3H3,(H,11,12,15)
InChIKeyUHNSLPQFIBCBDW-UHFFFAOYSA-N
XLogP0.92
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1,5-dimethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135832631) is 1,5-dimethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1,5-dimethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1,5-dimethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is CCCc1nn(C)c2c(=O)[nH]c(C)nc12.
What is the InChIKey of 1,5-dimethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is UHNSLPQFIBCBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-4-5-7-8-9(14(3)13-7)10(15)12-6(2)11-8/h4-5H2,1-3H3,(H,11,12,15).
What are the key properties of 1,5-dimethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
1,5-dimethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 206.25 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135832631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).