3-(2-amino-4,5-dihydroimidazol-1-yl)propan-1-ol

C6H13N3O — CID 57114896

IUPAC3-(2-amino-4,5-dihydroimidazol-1-yl)propan-1-ol
SMILESNC1=NCCN1CCCO
InChIInChI=1S/C6H13N3O/c7-6-8-2-4-9(6)3-1-5-10/h10H,1-5H2,(H2,7,8)
InChIKeySRFSJUQHWQFJGS-UHFFFAOYSA-N
MW143.19 g/mol
LogP-1.00
Rot. Bonds3

About 3-(2-amino-4,5-dihydroimidazol-1-yl)propan-1-ol

3-(2-amino-4,5-dihydroimidazol-1-yl)propan-1-ol (PubChem CID 57114896) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-(2-amino-4,5-dihydroimidazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-amino-4,5-dihydroimidazol-1-yl)propan-1-ol
PubChem CID57114896
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name3-(2-amino-4,5-dihydroimidazol-1-yl)propan-1-ol
SMILESNC1=NCCN1CCCO
InChIInChI=1S/C6H13N3O/c7-6-8-2-4-9(6)3-1-5-10/h10H,1-5H2,(H2,7,8)
InChIKeySRFSJUQHWQFJGS-UHFFFAOYSA-N
XLogP-1.00
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4,5-dihydroimidazol-1-yl)propan-1-ol?
The IUPAC name of 3-(2-amino-4,5-dihydroimidazol-1-yl)propan-1-ol (CID 57114896) is 3-(2-amino-4,5-dihydroimidazol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(2-amino-4,5-dihydroimidazol-1-yl)propan-1-ol?
The canonical SMILES for 3-(2-amino-4,5-dihydroimidazol-1-yl)propan-1-ol is NC1=NCCN1CCCO.
What is the InChIKey of 3-(2-amino-4,5-dihydroimidazol-1-yl)propan-1-ol?
The InChIKey is SRFSJUQHWQFJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c7-6-8-2-4-9(6)3-1-5-10/h10H,1-5H2,(H2,7,8).
What are the key properties of 3-(2-amino-4,5-dihydroimidazol-1-yl)propan-1-ol?
3-(2-amino-4,5-dihydroimidazol-1-yl)propan-1-ol has a molecular weight of 143.19 g/mol, XLogP of -1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4,5-dihydroimidazol-1-yl)propan-1-ol is sourced from PubChem (CID 57114896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).