6,7-dipropyltetrazolo[5,1-f]purin-5-one

C11H15N7O — CID 10563356

IUPAC6,7-dipropyltetrazolo[5,1-f]purin-5-one
SMILESCCCn1cnc2c1n(CCC)c(=O)n1nnnc21
InChIInChI=1S/C11H15N7O/c1-3-5-16-7-12-8-9-13-14-15-18(9)11(19)17(6-4-2)10(8)16/h7H,3-6H2,1-2H3
InChIKeyWKMCTPYODKBXJB-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.46
Rot. Bonds4

About 6,7-dipropyltetrazolo[5,1-f]purin-5-one

6,7-dipropyltetrazolo[5,1-f]purin-5-one (PubChem CID 10563356) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 6,7-dipropyltetrazolo[5,1-f]purin-5-one.

Molecular Properties

Compound Name6,7-dipropyltetrazolo[5,1-f]purin-5-one
PubChem CID10563356
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name6,7-dipropyltetrazolo[5,1-f]purin-5-one
SMILESCCCn1cnc2c1n(CCC)c(=O)n1nnnc21
InChIInChI=1S/C11H15N7O/c1-3-5-16-7-12-8-9-13-14-15-18(9)11(19)17(6-4-2)10(8)16/h7H,3-6H2,1-2H3
InChIKeyWKMCTPYODKBXJB-UHFFFAOYSA-N
XLogP0.46
TPSA82.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6,7-dipropyltetrazolo[5,1-f]purin-5-one?
The IUPAC name of 6,7-dipropyltetrazolo[5,1-f]purin-5-one (CID 10563356) is 6,7-dipropyltetrazolo[5,1-f]purin-5-one.
What is the SMILES notation for 6,7-dipropyltetrazolo[5,1-f]purin-5-one?
The canonical SMILES for 6,7-dipropyltetrazolo[5,1-f]purin-5-one is CCCn1cnc2c1n(CCC)c(=O)n1nnnc21.
What is the InChIKey of 6,7-dipropyltetrazolo[5,1-f]purin-5-one?
The InChIKey is WKMCTPYODKBXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c1-3-5-16-7-12-8-9-13-14-15-18(9)11(19)17(6-4-2)10(8)16/h7H,3-6H2,1-2H3.
What are the key properties of 6,7-dipropyltetrazolo[5,1-f]purin-5-one?
6,7-dipropyltetrazolo[5,1-f]purin-5-one has a molecular weight of 261.29 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dipropyltetrazolo[5,1-f]purin-5-one is sourced from PubChem (CID 10563356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).