2,5-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

C7H8N4O — CID 135768543

IUPAC2,5-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1nc2cn(C)nc2c(=O)[nH]1
InChIInChI=1S/C7H8N4O/c1-4-8-5-3-11(2)10-6(5)7(12)9-4/h3H,1-2H3,(H,8,9,12)
InChIKeyAPVLGOVOYMXVRA-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.03
Rot. Bonds

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

2,5-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135768543) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 2,5-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2,5-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135768543
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name2,5-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1nc2cn(C)nc2c(=O)[nH]1
InChIInChI=1S/C7H8N4O/c1-4-8-5-3-11(2)10-6(5)7(12)9-4/h3H,1-2H3,(H,8,9,12)
InChIKeyAPVLGOVOYMXVRA-UHFFFAOYSA-N
XLogP-0.03
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135449549
4-amino-1-methyl-1H-pyrazole-3-carboxamide
CID 6485351
4-amino-1-methyl-1H-pyrazole-5-carboxamide
CID 6485342
4-amino-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 6485370
4-(3-butylureido)-1-ethyl-1H-pyrazole-5-carboxamide
CID 661464
4-amino-N,1-diethyl-1H-pyrazole-5-carboxamide
CID 19620408
4-amino-N,1-dimethyl-1H-pyrazole-3-carboxamide hydrochloride
CID 44630897
3-amino-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one
CID 122673591
5-Chloro-1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 135741770
2-methyl-2H-pyrazolo(4,3-d)pyrimidin-7-ol
CID 135833870
5-(chloromethyl)-1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-ol
CID 141493085
4-amino-N-cyclobutyl-1-methyl-1H-pyrazole-3-carboxamide
CID 65354000

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 2,5-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (CID 135768543) is 2,5-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 2,5-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 2,5-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is Cc1nc2cn(C)nc2c(=O)[nH]1.
What is the InChIKey of 2,5-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is APVLGOVOYMXVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-4-8-5-3-11(2)10-6(5)7(12)9-4/h3H,1-2H3,(H,8,9,12).
What are the key properties of 2,5-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
2,5-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 164.17 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135768543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).