1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;ethane

C19H33N7O2 — CID 162199644

IUPAC1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;ethane
SMILESCC.CC.CC.CC.O=c1[nH]cnc2[nH]ncc12.O=c1[nH]cnc2c1CC=N2
InChIInChI=1S/C6H5N3O.C5H4N4O.4C2H6/c10-6-4-1-2-7-5(4)8-3-9-6;10-5-3-1-8-9-4(3)6-2-7-5;4*1-2/h2-3H,1H2,(H,8,9,10);1-2H,(H2,6,7,8,9,10);4*1-2H3
InChIKeyZRKIJJFYFKZQKT-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.78
Rot. Bonds

About 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;ethane

1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;ethane (PubChem CID 162199644) has the molecular formula C19H33N7O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;ethane.

Molecular Properties

Compound Name1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;ethane
PubChem CID162199644
Molecular FormulaC19H33N7O2
Molecular Weight391.52 g/mol
Exact Mass391.27
IUPAC Name1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;ethane
SMILESCC.CC.CC.CC.O=c1[nH]cnc2[nH]ncc12.O=c1[nH]cnc2c1CC=N2
InChIInChI=1S/C6H5N3O.C5H4N4O.4C2H6/c10-6-4-1-2-7-5(4)8-3-9-6;10-5-3-1-8-9-4(3)6-2-7-5;4*1-2/h2-3H,1H2,(H,8,9,10);1-2H,(H2,6,7,8,9,10);4*1-2H3
InChIKeyZRKIJJFYFKZQKT-UHFFFAOYSA-N
XLogP3.78
TPSA132.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

CID 135618481
CID 135618481
1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;1H-pyrimidine-2,4-dione
CID 135788293
5,6-dihydro-3H-pteridin-4-one
CID 135755329
7-chloro-6-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137292826
2-(dimethylamino)-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 135408571
ethane;iodomethane;3H-quinazolin-4-one
CID 136650915
ethane;4-methyl-1H-pyrazolo[3,4-d]pyrimidine
CID 143782754
6-nitro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137302564
6,7-dichloro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 172684386
2,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3,4-dione
CID 135703347
4,5-dihydrocyclopenta[c]pyridine-1,3-dione;1,6-dihydropyrrolo[2,3-d]pyrimidine-4-thione;3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;3,6-dihydropyrrolo[2,3-d]pyrimidin-4-one;methane
CID 158573238
6-(dimethylamino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135403384

Frequently Asked Questions

What is the IUPAC name of 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;ethane?
The IUPAC name of 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;ethane (CID 162199644) is 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;ethane.
What is the SMILES notation for 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;ethane?
The canonical SMILES for 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;ethane is CC.CC.CC.CC.O=c1[nH]cnc2[nH]ncc12.O=c1[nH]cnc2c1CC=N2.
What is the InChIKey of 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;ethane?
The InChIKey is ZRKIJJFYFKZQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O.C5H4N4O.4C2H6/c10-6-4-1-2-7-5(4)8-3-9-6;10-5-3-1-8-9-4(3)6-2-7-5;4*1-2/h2-3H,1H2,(H,8,9,10);1-2H,(H2,6,7,8,9,10);4*1-2H3.
What are the key properties of 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;ethane?
1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;ethane has a molecular weight of 391.52 g/mol, XLogP of 3.78, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;ethane is sourced from PubChem (CID 162199644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).