1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole;dihydrochloride

C5H9Cl2N3 — CID 91759504

IUPAC1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole;dihydrochloride
SMILESCl.Cl.c1nc2c([nH]1)CNC2
InChIInChI=1S/C5H7N3.2ClH/c1-4-5(2-6-1)8-3-7-4;;/h3,6H,1-2H2,(H,7,8);2*1H
InChIKeyQSFDWHPDFANGHL-UHFFFAOYSA-N
MW182.05 g/mol
LogP0.86
Rot. Bonds

About 1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole;dihydrochloride

1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole;dihydrochloride (PubChem CID 91759504) has the molecular formula C5H9Cl2N3 and a molecular weight of 182.05 g/mol. Its IUPAC name is 1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole;dihydrochloride.

Molecular Properties

Compound Name1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole;dihydrochloride
PubChem CID91759504
Molecular FormulaC5H9Cl2N3
Molecular Weight182.05 g/mol
Exact Mass181.02
IUPAC Name1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole;dihydrochloride
SMILESCl.Cl.c1nc2c([nH]1)CNC2
InChIInChI=1S/C5H7N3.2ClH/c1-4-5(2-6-1)8-3-7-4;;/h3,6H,1-2H2,(H,7,8);2*1H
InChIKeyQSFDWHPDFANGHL-UHFFFAOYSA-N
XLogP0.86
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.05
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 20393968
1-(5-methyl-1H-imidazol-4-yl)methanamine hydrochloride
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3-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]thiourea hydrochloride
CID 139026625
1-[(4-methyl-1H-imidazol-5-yl)methyl]azocane
CID 6456284
(4-methyl-1H-imidazol-5-yl)methanamine
CID 20393969
2-(Trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
CID 45120581
1,4,5,6-Tetrahydropyrrolo[3,4-d]imidazole
CID 45120616
[4-(trifluoromethyl)-1H-imidazol-5-yl]methanamine
CID 84652002
5-methyl-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
CID 117633279
2,2,2-trifluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
CID 62747610
3,3,3-trifluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-1-amine
CID 63226519
4,4,4-trifluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]butan-2-amine
CID 105932093

Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole;dihydrochloride?
The IUPAC name of 1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole;dihydrochloride (CID 91759504) is 1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole;dihydrochloride.
What is the SMILES notation for 1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole;dihydrochloride?
The canonical SMILES for 1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole;dihydrochloride is Cl.Cl.c1nc2c([nH]1)CNC2.
What is the InChIKey of 1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole;dihydrochloride?
The InChIKey is QSFDWHPDFANGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3.2ClH/c1-4-5(2-6-1)8-3-7-4;;/h3,6H,1-2H2,(H,7,8);2*1H.
What are the key properties of 1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole;dihydrochloride?
1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole;dihydrochloride has a molecular weight of 182.05 g/mol, XLogP of 0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole;dihydrochloride is sourced from PubChem (CID 91759504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).