2-(cinnolin-4-ylamino)-1-cyclopropylethanol

C13H15N3O — CID 63586399

IUPAC2-(cinnolin-4-ylamino)-1-cyclopropylethanol
SMILESOC(CNc1cnnc2ccccc12)C1CC1
InChIInChI=1S/C13H15N3O/c17-13(9-5-6-9)8-14-12-7-15-16-11-4-2-1-3-10(11)12/h1-4,7,9,13,17H,5-6,8H2,(H,14,16)
InChIKeyPJEDIAAFKVDXMQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.81
Rot. Bonds4

About 2-(cinnolin-4-ylamino)-1-cyclopropylethanol

2-(cinnolin-4-ylamino)-1-cyclopropylethanol (PubChem CID 63586399) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(cinnolin-4-ylamino)-1-cyclopropylethanol.

Molecular Properties

Compound Name2-(cinnolin-4-ylamino)-1-cyclopropylethanol
PubChem CID63586399
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-(cinnolin-4-ylamino)-1-cyclopropylethanol
SMILESOC(CNc1cnnc2ccccc12)C1CC1
InChIInChI=1S/C13H15N3O/c17-13(9-5-6-9)8-14-12-7-15-16-11-4-2-1-3-10(11)12/h1-4,7,9,13,17H,5-6,8H2,(H,14,16)
InChIKeyPJEDIAAFKVDXMQ-UHFFFAOYSA-N
XLogP1.81
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cinnolin-4-yl-1-cyclopropylethanol
CID 63587148
3-(cinnolin-4-ylamino)-2-hydroxypropanamide
CID 114153484
1-(4-aminophenyl)-2-(cinnolin-4-ylamino)ethanol
CID 63586762
N-[(1-cyclopropylcyclopropyl)methyl]cinnolin-4-amine
CID 114096455
N'-cinnolin-4-yl-N-cyclopropylpropane-1,3-diamine
CID 63586034
2-[(2-ethylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol
CID 133402118
2-[(cinnolin-4-ylamino)methyl]butanoic acid
CID 65226536
1-[(cinnolin-4-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 65118174
N-(2H-tetrazol-5-ylmethyl)cinnolin-4-amine
CID 63587706
4-(2-chloro-2-cyclopropylethyl)cinnoline
CID 63588291
N-cinnolin-4-yl-1-cyclopentylethane-1,2-diamine
CID 106738352
N-(2,2,2-trifluoroethyl)cinnolin-4-amine
CID 63586208

Frequently Asked Questions

What is the IUPAC name of 2-(cinnolin-4-ylamino)-1-cyclopropylethanol?
The IUPAC name of 2-(cinnolin-4-ylamino)-1-cyclopropylethanol (CID 63586399) is 2-(cinnolin-4-ylamino)-1-cyclopropylethanol.
What is the SMILES notation for 2-(cinnolin-4-ylamino)-1-cyclopropylethanol?
The canonical SMILES for 2-(cinnolin-4-ylamino)-1-cyclopropylethanol is OC(CNc1cnnc2ccccc12)C1CC1.
What is the InChIKey of 2-(cinnolin-4-ylamino)-1-cyclopropylethanol?
The InChIKey is PJEDIAAFKVDXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-13(9-5-6-9)8-14-12-7-15-16-11-4-2-1-3-10(11)12/h1-4,7,9,13,17H,5-6,8H2,(H,14,16).
What are the key properties of 2-(cinnolin-4-ylamino)-1-cyclopropylethanol?
2-(cinnolin-4-ylamino)-1-cyclopropylethanol has a molecular weight of 229.28 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cinnolin-4-ylamino)-1-cyclopropylethanol is sourced from PubChem (CID 63586399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).