1-methylpyrazolo[4,5-d]pyrimidin-7-amine

C6H7N5 — CID 45080196

IUPAC1-methylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCn1ncc2ncnc(N)c21
InChIInChI=1S/C6H7N5/c1-11-5-4(2-10-11)8-3-9-6(5)7/h2-3H,1H3,(H2,7,8,9)
InChIKeyWFQKKZBONXZYLH-UHFFFAOYSA-N
MW149.16 g/mol
LogP-0.05
Rot. Bonds

About 1-methylpyrazolo[4,5-d]pyrimidin-7-amine

1-methylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 45080196) has the molecular formula C6H7N5 and a molecular weight of 149.16 g/mol. Its IUPAC name is 1-methylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1-methylpyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID45080196
Molecular FormulaC6H7N5
Molecular Weight149.16 g/mol
Exact Mass149.07
IUPAC Name1-methylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCn1ncc2ncnc(N)c21
InChIInChI=1S/C6H7N5/c1-11-5-4(2-10-11)8-3-9-6(5)7/h2-3H,1H3,(H2,7,8,9)
InChIKeyWFQKKZBONXZYLH-UHFFFAOYSA-N
XLogP-0.05
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1-methylpyrazolo[4,5-d]pyrimidin-7-amine (CID 45080196) is 1-methylpyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1-methylpyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1-methylpyrazolo[4,5-d]pyrimidin-7-amine is Cn1ncc2ncnc(N)c21.
What is the InChIKey of 1-methylpyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is WFQKKZBONXZYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5/c1-11-5-4(2-10-11)8-3-9-6(5)7/h2-3H,1H3,(H2,7,8,9).
What are the key properties of 1-methylpyrazolo[4,5-d]pyrimidin-7-amine?
1-methylpyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 149.16 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 45080196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).