1,3,5-trimethylpyrazolo[5,4-d]pyrimidin-4-one

C8H10N4O — CID 23263365

IUPAC1,3,5-trimethylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nn(C)c2ncn(C)c(=O)c12
InChIInChI=1S/C8H10N4O/c1-5-6-7(12(3)10-5)9-4-11(2)8(6)13/h4H,1-3H3
InChIKeyNPTMPWBYCSBMFW-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.02
Rot. Bonds

About 1,3,5-trimethylpyrazolo[5,4-d]pyrimidin-4-one

1,3,5-trimethylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 23263365) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 1,3,5-trimethylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1,3,5-trimethylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID23263365
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name1,3,5-trimethylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nn(C)c2ncn(C)c(=O)c12
InChIInChI=1S/C8H10N4O/c1-5-6-7(12(3)10-5)9-4-11(2)8(6)13/h4H,1-3H3
InChIKeyNPTMPWBYCSBMFW-UHFFFAOYSA-N
XLogP-0.02
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1,3,5-trimethylpyrazolo[5,4-d]pyrimidin-4-one (CID 23263365) is 1,3,5-trimethylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1,3,5-trimethylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1,3,5-trimethylpyrazolo[5,4-d]pyrimidin-4-one is Cc1nn(C)c2ncn(C)c(=O)c12.
What is the InChIKey of 1,3,5-trimethylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is NPTMPWBYCSBMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-5-6-7(12(3)10-5)9-4-11(2)8(6)13/h4H,1-3H3.
What are the key properties of 1,3,5-trimethylpyrazolo[5,4-d]pyrimidin-4-one?
1,3,5-trimethylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 178.19 g/mol, XLogP of -0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 23263365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).