6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C6H7N5O — CID 135408748

IUPAC6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C6H7N5O/c1-11-4-3(2-8-11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)
InChIKeyKHAZXEOBCQIOSS-UHFFFAOYSA-N
MW165.16 g/mol
LogP-0.76
Rot. Bonds

About 6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135408748) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is 6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135408748
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C6H7N5O/c1-11-4-3(2-8-11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)
InChIKeyKHAZXEOBCQIOSS-UHFFFAOYSA-N
XLogP-0.76
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-(propan-2-yl)-1H-pyrazole-4-carboxamide
CID 1263609
1,5-Dimethyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 219764
1-Methyl-1,5-dihydropyrazolo(3,4-d)pyrimidin-4-one
CID 135439714
7-Methyl-7H-pyrazolo(3,4-d)(1,2,3)triazin-4-ol
CID 135495349
Happ
CID 135403386
5-amino-1-methyl-1H-pyrazole-4-carboxamide
CID 265696
1-(2-hydroxyethyl)-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408778
1-tert-butyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135876286
1,6-dimethyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135457239
3-Methyl-4-oxopyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 13282219
4,9-Dimethyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,6-diene-3,5-dione
CID 135426858
1-Butyryl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135775438

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135408748) is 6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)[nH]c(N)nc21.
What is the InChIKey of 6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is KHAZXEOBCQIOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O/c1-11-4-3(2-8-11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12).
What are the key properties of 6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 165.16 g/mol, XLogP of -0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135408748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).