6,9-dipropyltetrazolo[5,1-f]purin-5-one

C11H15N7O — CID 10491646

IUPAC6,9-dipropyltetrazolo[5,1-f]purin-5-one
SMILESCCCn1cnc2c1c1nnnn1c(=O)n2CCC
InChIInChI=1S/C11H15N7O/c1-3-5-16-7-12-9-8(16)10-13-14-15-18(10)11(19)17(9)6-4-2/h7H,3-6H2,1-2H3
InChIKeyMKHXPKWGXFTWQV-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.46
Rot. Bonds4

About 6,9-dipropyltetrazolo[5,1-f]purin-5-one

6,9-dipropyltetrazolo[5,1-f]purin-5-one (PubChem CID 10491646) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 6,9-dipropyltetrazolo[5,1-f]purin-5-one.

Molecular Properties

Compound Name6,9-dipropyltetrazolo[5,1-f]purin-5-one
PubChem CID10491646
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name6,9-dipropyltetrazolo[5,1-f]purin-5-one
SMILESCCCn1cnc2c1c1nnnn1c(=O)n2CCC
InChIInChI=1S/C11H15N7O/c1-3-5-16-7-12-9-8(16)10-13-14-15-18(10)11(19)17(9)6-4-2/h7H,3-6H2,1-2H3
InChIKeyMKHXPKWGXFTWQV-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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Related Compounds

3,4-Dipropyl-7,8-dihydroimidazo[2,1-f]purin-5-one
CID 9881656
3,4-Dipropylimidazo[2,1-f]purin-5-one
CID 9859958
1,4-Dipropylimidazo[2,1-f]purin-5-one
CID 10706416
5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,9-dimethyl-6-propyl-
CID 3077745
5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,7-dihydro-9-methyl-6-propyl-
CID 3077754
3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-9-methyl-6-propyl-
CID 3077758
5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,7-dihydro-3-methyl-6-propyl-
CID 135702818
1,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one
CID 10492653
3,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one
CID 10492654
1,4-Dipropyl-7,8-dihydroimidazo[2,1-f]purin-5-one
CID 10515565
3,4-Dipropyl-7,8,9,10-tetrahydro-[1,3]diazepino[2,1-f]purin-5-one
CID 10613420
6,7-Dipropyltetrazolo[5,1-f]purin-5-one
CID 10563356

Frequently Asked Questions

What is the IUPAC name of 6,9-dipropyltetrazolo[5,1-f]purin-5-one?
The IUPAC name of 6,9-dipropyltetrazolo[5,1-f]purin-5-one (CID 10491646) is 6,9-dipropyltetrazolo[5,1-f]purin-5-one.
What is the SMILES notation for 6,9-dipropyltetrazolo[5,1-f]purin-5-one?
The canonical SMILES for 6,9-dipropyltetrazolo[5,1-f]purin-5-one is CCCn1cnc2c1c1nnnn1c(=O)n2CCC.
What is the InChIKey of 6,9-dipropyltetrazolo[5,1-f]purin-5-one?
The InChIKey is MKHXPKWGXFTWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c1-3-5-16-7-12-9-8(16)10-13-14-15-18(10)11(19)17(9)6-4-2/h7H,3-6H2,1-2H3.
What are the key properties of 6,9-dipropyltetrazolo[5,1-f]purin-5-one?
6,9-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 6,9-dipropyltetrazolo[5,1-f]purin-5-one is sourced from PubChem (CID 10491646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).