6-propyl-9H-tetrazolo[5,1-f]purin-5-one

C8H9N7O — CID 135531470

IUPAC6-propyl-9H-tetrazolo[5,1-f]purin-5-one
SMILESCCCn1c(=O)n2nnnc2c2[nH]cnc21
InChIInChI=1S/C8H9N7O/c1-2-3-14-6-5(9-4-10-6)7-11-12-13-15(7)8(14)16/h4H,2-3H2,1H3,(H,9,10)
InChIKeyJMRDRIITSWYAPV-UHFFFAOYSA-N
MW219.21 g/mol
LogP-0.43
Rot. Bonds2

About 6-propyl-9H-tetrazolo[5,1-f]purin-5-one

6-propyl-9H-tetrazolo[5,1-f]purin-5-one (PubChem CID 135531470) has the molecular formula C8H9N7O and a molecular weight of 219.21 g/mol. Its IUPAC name is 6-propyl-9H-tetrazolo[5,1-f]purin-5-one.

Molecular Properties

Compound Name6-propyl-9H-tetrazolo[5,1-f]purin-5-one
PubChem CID135531470
Molecular FormulaC8H9N7O
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name6-propyl-9H-tetrazolo[5,1-f]purin-5-one
SMILESCCCn1c(=O)n2nnnc2c2[nH]cnc21
InChIInChI=1S/C8H9N7O/c1-2-3-14-6-5(9-4-10-6)7-11-12-13-15(7)8(14)16/h4H,2-3H2,1H3,(H,9,10)
InChIKeyJMRDRIITSWYAPV-UHFFFAOYSA-N
XLogP-0.43
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-Imino-1,3-dimethyl-6,9-dihydro-1H-purin-2(3H)-one
CID 135460090
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
5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,7-dihydro-3-methyl-6-propyl-
CID 135702818
4-propyl-1H-imidazo[2,1-f]purin-5-one
CID 10536740
6,9-Dipropyltetrazolo[5,1-f]purin-5-one
CID 10491646
6,7-Dipropyltetrazolo[5,1-f]purin-5-one
CID 10563356
6-Pentyl-8-(trifluoromethyl)-6,9-dihydro-5H-[1,2,4]triazolo[3,4-i]purin-5-one
CID 135846125
6-butyl-8-(trifluoromethyl)-9H-[1,2,4]triazolo[3,4-f]purin-5-one
CID 135955132
6-butyl-3-methyl-8-(trifluoromethyl)-9H-[1,2,4]triazolo[3,4-f]purin-5-one
CID 135955133
2-bromo-4-pentyl-8-(trifluoromethyl)-1H-[1,2,4]triazolo[5,1-f]purin-5-one
CID 135955146
8-bromo-6-pentyl-3-(trifluoromethyl)-9H-[1,2,4]triazolo[3,4-f]purin-5-one
CID 135955147

Frequently Asked Questions

What is the IUPAC name of 6-propyl-9H-tetrazolo[5,1-f]purin-5-one?
The IUPAC name of 6-propyl-9H-tetrazolo[5,1-f]purin-5-one (CID 135531470) is 6-propyl-9H-tetrazolo[5,1-f]purin-5-one.
What is the SMILES notation for 6-propyl-9H-tetrazolo[5,1-f]purin-5-one?
The canonical SMILES for 6-propyl-9H-tetrazolo[5,1-f]purin-5-one is CCCn1c(=O)n2nnnc2c2[nH]cnc21.
What is the InChIKey of 6-propyl-9H-tetrazolo[5,1-f]purin-5-one?
The InChIKey is JMRDRIITSWYAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N7O/c1-2-3-14-6-5(9-4-10-6)7-11-12-13-15(7)8(14)16/h4H,2-3H2,1H3,(H,9,10).
What are the key properties of 6-propyl-9H-tetrazolo[5,1-f]purin-5-one?
6-propyl-9H-tetrazolo[5,1-f]purin-5-one has a molecular weight of 219.21 g/mol, XLogP of -0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-9H-tetrazolo[5,1-f]purin-5-one is sourced from PubChem (CID 135531470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).