6-propyl-3,5-dihydroimidazo[4,5-d]triazin-4-one

C7H9N5O — CID 135415827

IUPAC6-propyl-3,5-dihydroimidazo[4,5-d]triazin-4-one
SMILESCCCc1nc2nn[nH]c(=O)c2[nH]1
InChIInChI=1S/C7H9N5O/c1-2-3-4-8-5-6(9-4)10-12-11-7(5)13/h2-3H2,1H3,(H2,8,9,10,11,13)
InChIKeyXUSDUKUOGPICQX-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.01
Rot. Bonds2

About 6-propyl-3,5-dihydroimidazo[4,5-d]triazin-4-one

6-propyl-3,5-dihydroimidazo[4,5-d]triazin-4-one (PubChem CID 135415827) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 6-propyl-3,5-dihydroimidazo[4,5-d]triazin-4-one.

Molecular Properties

Compound Name6-propyl-3,5-dihydroimidazo[4,5-d]triazin-4-one
PubChem CID135415827
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name6-propyl-3,5-dihydroimidazo[4,5-d]triazin-4-one
SMILESCCCc1nc2nn[nH]c(=O)c2[nH]1
InChIInChI=1S/C7H9N5O/c1-2-3-4-8-5-6(9-4)10-12-11-7(5)13/h2-3H2,1H3,(H2,8,9,10,11,13)
InChIKeyXUSDUKUOGPICQX-UHFFFAOYSA-N
XLogP-0.01
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 162308882
8-butyl-2-sulfanylidene-3,7-dihydropurin-6-one
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5-methyl-4-propan-2-yl-2-propyl-1H-pyrimidin-6-one
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8-butyl-3-methyl-7H-purine-2,6-dione
CID 112568989
1,3-dimethyl-8-(2-propoxyethyl)-7H-purine-2,6-dione
CID 90447937
3-methyl-6-propyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 135979569
8-ethyl-2-(tritioamino)-1,7-dihydropurin-6-one
CID 136659280
2-ethylsulfanyl-4-propan-2-yl-7-propyl-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 137286180
4-hydroxy-2-propyl-1H-imidazole-5-carboxamide
CID 12901487
(6-amino-8-propyl-7H-purin-2-yl)oxymethylphosphonic acid
CID 90425555
3-ethyl-8-heptyl-7H-purine-2,6-dione
CID 115925569
2-[4-(6-oxo-1,7-dihydropurin-2-yl)butyl]-1,7-dihydropurin-6-one
CID 137190272

Frequently Asked Questions

What is the IUPAC name of 6-propyl-3,5-dihydroimidazo[4,5-d]triazin-4-one?
The IUPAC name of 6-propyl-3,5-dihydroimidazo[4,5-d]triazin-4-one (CID 135415827) is 6-propyl-3,5-dihydroimidazo[4,5-d]triazin-4-one.
What is the SMILES notation for 6-propyl-3,5-dihydroimidazo[4,5-d]triazin-4-one?
The canonical SMILES for 6-propyl-3,5-dihydroimidazo[4,5-d]triazin-4-one is CCCc1nc2nn[nH]c(=O)c2[nH]1.
What is the InChIKey of 6-propyl-3,5-dihydroimidazo[4,5-d]triazin-4-one?
The InChIKey is XUSDUKUOGPICQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-2-3-4-8-5-6(9-4)10-12-11-7(5)13/h2-3H2,1H3,(H2,8,9,10,11,13).
What are the key properties of 6-propyl-3,5-dihydroimidazo[4,5-d]triazin-4-one?
6-propyl-3,5-dihydroimidazo[4,5-d]triazin-4-one has a molecular weight of 179.18 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-3,5-dihydroimidazo[4,5-d]triazin-4-one is sourced from PubChem (CID 135415827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).