ethane;1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole

C9H19N3 — CID 144959270

IUPACethane;1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
SMILESCC.CC.c1n[nH]c2c1CNC2
InChIInChI=1S/C5H7N3.2C2H6/c1-4-2-7-8-5(4)3-6-1;2*1-2/h2,6H,1,3H2,(H,7,8);2*1-2H3
InChIKeyIEBGNSQNEVKLBB-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.07
Rot. Bonds

About ethane;1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole

ethane;1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole (PubChem CID 144959270) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is ethane;1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Nameethane;1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
PubChem CID144959270
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Nameethane;1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
SMILESCC.CC.c1n[nH]c2c1CNC2
InChIInChI=1S/C5H7N3.2C2H6/c1-4-2-7-8-5(4)3-6-1;2*1-2/h2,6H,1,3H2,(H,7,8);2*1-2H3
InChIKeyIEBGNSQNEVKLBB-UHFFFAOYSA-N
XLogP2.07
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(7S)-7-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine
CID 125451348
5,5-dimethyl-1,4,6,7-tetrahydroindazole;ethane
CID 144881790
4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-4-ol
CID 82418351
5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole;methane
CID 161037890
4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1,2,3,4-tetrahydroisoquinoline;4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 161017552
tert-butyl 1,4,5,6,7,8-hexahydropyrazolo[5,4-c]azepine-6-carboxylate
CID 67289241
5,6,7,8-tetrahydro-2H-pyrido[3,4-d]pyridazin-1-one;hydrochloride
CID 71743924
6-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
CID 134714770
ethane;ethene;bis(6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine)
CID 162282838
methyl (5R)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-5-carboxylate
CID 99996671
2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole
CID 82418938
1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-methylbutan-1-one
CID 130641997

Frequently Asked Questions

What is the IUPAC name of ethane;1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The IUPAC name of ethane;1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole (CID 144959270) is ethane;1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for ethane;1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for ethane;1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole is CC.CC.c1n[nH]c2c1CNC2.
What is the InChIKey of ethane;1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The InChIKey is IEBGNSQNEVKLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3.2C2H6/c1-4-2-7-8-5(4)3-6-1;2*1-2/h2,6H,1,3H2,(H,7,8);2*1-2H3.
What are the key properties of ethane;1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
ethane;1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole has a molecular weight of 169.27 g/mol, XLogP of 2.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 144959270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).