1,3-dimethyl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C9H11N9 — CID 56899250

IUPAC1,3-dimethyl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(NCc3nn[nH]n3)c12
InChIInChI=1S/C9H11N9/c1-5-7-8(10-3-6-13-16-17-14-6)11-4-12-9(7)18(2)15-5/h4H,3H2,1-2H3,(H,10,11,12)(H,13,14,16,17)
InChIKeyQGOBEONNXHFDRO-UHFFFAOYSA-N
MW245.25 g/mol
LogP-0.20
Rot. Bonds3

About 1,3-dimethyl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

1,3-dimethyl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56899250) has the molecular formula C9H11N9 and a molecular weight of 245.25 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56899250
Molecular FormulaC9H11N9
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name1,3-dimethyl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(NCc3nn[nH]n3)c12
InChIInChI=1S/C9H11N9/c1-5-7-8(10-3-6-13-16-17-14-6)11-4-12-9(7)18(2)15-5/h4H,3H2,1-2H3,(H,10,11,12)(H,13,14,16,17)
InChIKeyQGOBEONNXHFDRO-UHFFFAOYSA-N
XLogP-0.20
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 56899250) is 1,3-dimethyl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1nn(C)c2ncnc(NCc3nn[nH]n3)c12.
What is the InChIKey of 1,3-dimethyl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QGOBEONNXHFDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N9/c1-5-7-8(10-3-6-13-16-17-14-6)11-4-12-9(7)18(2)15-5/h4H,3H2,1-2H3,(H,10,11,12)(H,13,14,16,17).
What are the key properties of 1,3-dimethyl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1,3-dimethyl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 245.25 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56899250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).