2-amino-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethanol

C8H13N3O — CID 84731706

IUPAC2-amino-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethanol
SMILESNCC(O)c1nc2c([nH]1)CCC2
InChIInChI=1S/C8H13N3O/c9-4-7(12)8-10-5-2-1-3-6(5)11-8/h7,12H,1-4,9H2,(H,10,11)
InChIKeyWYFSXJHNXNBBBF-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.11
Rot. Bonds2

About 2-amino-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethanol

2-amino-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethanol (PubChem CID 84731706) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-amino-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethanol
PubChem CID84731706
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-amino-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethanol
SMILESNCC(O)c1nc2c([nH]1)CCC2
InChIInChI=1S/C8H13N3O/c9-4-7(12)8-10-5-2-1-3-6(5)11-8/h7,12H,1-4,9H2,(H,10,11)
InChIKeyWYFSXJHNXNBBBF-UHFFFAOYSA-N
XLogP-0.11
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethanol?
The IUPAC name of 2-amino-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethanol (CID 84731706) is 2-amino-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethanol.
What is the SMILES notation for 2-amino-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethanol?
The canonical SMILES for 2-amino-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethanol is NCC(O)c1nc2c([nH]1)CCC2.
What is the InChIKey of 2-amino-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethanol?
The InChIKey is WYFSXJHNXNBBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-4-7(12)8-10-5-2-1-3-6(5)11-8/h7,12H,1-4,9H2,(H,10,11).
What are the key properties of 2-amino-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethanol?
2-amino-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethanol has a molecular weight of 167.21 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethanol is sourced from PubChem (CID 84731706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).