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

C5H7N3 — CID 45120616

IUPAC1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
SMILESc1nc2c([nH]1)CNC2
InChIInChI=1S/C5H7N3/c1-4-5(2-6-1)8-3-7-4/h3,6H,1-2H2,(H,7,8)
InChIKeyDHSAAWDYDOKDGX-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.01
Rot. Bonds

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

1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole (PubChem CID 45120616) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
PubChem CID45120616
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
SMILESc1nc2c([nH]1)CNC2
InChIInChI=1S/C5H7N3/c1-4-5(2-6-1)8-3-7-4/h3,6H,1-2H2,(H,7,8)
InChIKeyDHSAAWDYDOKDGX-UHFFFAOYSA-N
XLogP0.01
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methyl-1H-imidazol-4-yl)methanamine dihydrochloride
CID 20393968
1H,4H,5H,6H-pyrrolo[3,4-d]imidazole dihydrochloride
CID 91759504
1-(5-methyl-1H-imidazol-4-yl)methanamine hydrochloride
CID 56773750
1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine
CID 3817838
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-cyano-2-methyl-3-[2-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methylamino]ethyl]guanidine
CID 57180390
5-ethyl-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
CID 70938176
[4-(trifluoromethyl)-1H-imidazol-5-yl]methanamine
CID 84652002
5-methyl-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
CID 117633279
1,8-Dihydroimidazo[4,5-e][1,3]diazepine
CID 90864433

Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole?
The IUPAC name of 1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole (CID 45120616) is 1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole is c1nc2c([nH]1)CNC2.
What is the InChIKey of 1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole?
The InChIKey is DHSAAWDYDOKDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c1-4-5(2-6-1)8-3-7-4/h3,6H,1-2H2,(H,7,8).
What are the key properties of 1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole?
1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole has a molecular weight of 109.13 g/mol, XLogP of 0.01, 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 is sourced from PubChem (CID 45120616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).