7-(methylamino)-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione

C6H7N5O2 — CID 54306069

IUPAC7-(methylamino)-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione
SMILESCNn1c(=O)[nH]c(=O)c2cn[nH]c21
InChIInChI=1S/C6H7N5O2/c1-7-11-4-3(2-8-10-4)5(12)9-6(11)13/h2,7H,1H3,(H,8,10)(H,9,12,13)
InChIKeySHOZUMXVZDOEJN-UHFFFAOYSA-N
MW181.16 g/mol
LogP-1.41
Rot. Bonds1

About 7-(methylamino)-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione

7-(methylamino)-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione (PubChem CID 54306069) has the molecular formula C6H7N5O2 and a molecular weight of 181.16 g/mol. Its IUPAC name is 7-(methylamino)-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name7-(methylamino)-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione
PubChem CID54306069
Molecular FormulaC6H7N5O2
Molecular Weight181.16 g/mol
Exact Mass181.06
IUPAC Name7-(methylamino)-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione
SMILESCNn1c(=O)[nH]c(=O)c2cn[nH]c21
InChIInChI=1S/C6H7N5O2/c1-7-11-4-3(2-8-10-4)5(12)9-6(11)13/h2,7H,1H3,(H,8,10)(H,9,12,13)
InChIKeySHOZUMXVZDOEJN-UHFFFAOYSA-N
XLogP-1.41
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(methylamino)-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
The IUPAC name of 7-(methylamino)-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione (CID 54306069) is 7-(methylamino)-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 7-(methylamino)-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 7-(methylamino)-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione is CNn1c(=O)[nH]c(=O)c2cn[nH]c21.
What is the InChIKey of 7-(methylamino)-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
The InChIKey is SHOZUMXVZDOEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2/c1-7-11-4-3(2-8-10-4)5(12)9-6(11)13/h2,7H,1H3,(H,8,10)(H,9,12,13).
What are the key properties of 7-(methylamino)-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
7-(methylamino)-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione has a molecular weight of 181.16 g/mol, XLogP of -1.41, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylamino)-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 54306069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).