3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol

C9H15N3O — CID 79126295

IUPAC3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol
SMILESNCCC(O)c1cncn1C1CC1
InChIInChI=1S/C9H15N3O/c10-4-3-9(13)8-5-11-6-12(8)7-1-2-7/h5-7,9,13H,1-4,10H2
InChIKeyBALTYBYYNXBVSR-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.60
Rot. Bonds4

About 3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol

3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol (PubChem CID 79126295) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol
PubChem CID79126295
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol
SMILESNCCC(O)c1cncn1C1CC1
InChIInChI=1S/C9H15N3O/c10-4-3-9(13)8-5-11-6-12(8)7-1-2-7/h5-7,9,13H,1-4,10H2
InChIKeyBALTYBYYNXBVSR-UHFFFAOYSA-N
XLogP0.60
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol (CID 79126295) is 3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol is NCCC(O)c1cncn1C1CC1.
What is the InChIKey of 3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol?
The InChIKey is BALTYBYYNXBVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-4-3-9(13)8-5-11-6-12(8)7-1-2-7/h5-7,9,13H,1-4,10H2.
What are the key properties of 3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol?
3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol is sourced from PubChem (CID 79126295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).