5-methyl-3-propan-2-yl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

C9H12N4O — CID 76848807

IUPAC5-methyl-3-propan-2-yl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCC1=NC2C(=NN=C2C(C)C)C(=O)N1
InChIInChI=1S/C9H12N4O/c1-4(2)6-7-8(13-12-6)9(14)11-5(3)10-7/h4,7H,1-3H3,(H,10,11,14)
InChIKeyDOHJNNHFLKRLPF-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.37
Rot. Bonds1

About 5-methyl-3-propan-2-yl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

5-methyl-3-propan-2-yl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 76848807) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 5-methyl-3-propan-2-yl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-3-propan-2-yl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
PubChem CID76848807
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name5-methyl-3-propan-2-yl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCC1=NC2C(=NN=C2C(C)C)C(=O)N1
InChIInChI=1S/C9H12N4O/c1-4(2)6-7-8(13-12-6)9(14)11-5(3)10-7/h4,7H,1-3H3,(H,10,11,14)
InChIKeyDOHJNNHFLKRLPF-UHFFFAOYSA-N
XLogP0.37
TPSA66.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propan-2-yl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 5-methyl-3-propan-2-yl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (CID 76848807) is 5-methyl-3-propan-2-yl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-3-propan-2-yl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 5-methyl-3-propan-2-yl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is CC1=NC2C(=NN=C2C(C)C)C(=O)N1.
What is the InChIKey of 5-methyl-3-propan-2-yl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is DOHJNNHFLKRLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-4(2)6-7-8(13-12-6)9(14)11-5(3)10-7/h4,7H,1-3H3,(H,10,11,14).
What are the key properties of 5-methyl-3-propan-2-yl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
5-methyl-3-propan-2-yl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 192.22 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-yl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 76848807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).