2-[(3-amino-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol

C9H15N3O2 — CID 61245195

IUPAC2-[(3-amino-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol
SMILESNc1cnccc1N(CCO)CCO
InChIInChI=1S/C9H15N3O2/c10-8-7-11-2-1-9(8)12(3-5-13)4-6-14/h1-2,7,13-14H,3-6,10H2
InChIKeyCLWCITNMRNQCPA-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.55
Rot. Bonds5

About 2-[(3-amino-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol

2-[(3-amino-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 61245195) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol
PubChem CID61245195
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-[(3-amino-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol
SMILESNc1cnccc1N(CCO)CCO
InChIInChI=1S/C9H15N3O2/c10-8-7-11-2-1-9(8)12(3-5-13)4-6-14/h1-2,7,13-14H,3-6,10H2
InChIKeyCLWCITNMRNQCPA-UHFFFAOYSA-N
XLogP-0.55
TPSA82.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-hydroxyethyl-(3-nitro-4-pyridinyl)amino]ethanol
CID 61234932
2-[(3-amino-4-pyridinyl)-ethylamino]acetamide
CID 103101114
4-N,4-N-dimethylpyridine-3,4-diamine
CID 14088946
2-[(3-chloro-4-pyridinyl)-ethylamino]ethanol
CID 79770158
4-[(3-amino-4-pyridinyl)-methylamino]-2-methylbutan-2-ol
CID 79356009
2-[(2-amino-3-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 104540016
2-[(5-aminoisoquinolin-6-yl)-(2-methoxyethyl)amino]ethanol
CID 106948402
2-[(3-bromo-4-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
CID 107484125
4-N-(cyclobutylmethyl)-4-N-ethylpyridine-3,4-diamine
CID 107397217
4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine
CID 61359414
4-N-(2-methoxyethyl)-4-N-methylpyridine-3,4-diamine
CID 61360000
2-[(3-amino-4-pyridinyl)-methylamino]acetic acid
CID 62253485

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(3-amino-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol (CID 61245195) is 2-[(3-amino-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol is Nc1cnccc1N(CCO)CCO.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is CLWCITNMRNQCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c10-8-7-11-2-1-9(8)12(3-5-13)4-6-14/h1-2,7,13-14H,3-6,10H2.
What are the key properties of 2-[(3-amino-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol?
2-[(3-amino-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 197.24 g/mol, XLogP of -0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 61245195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).