amino-[(4-ethynyl-2-pyridinyl)amino]methanol

C8H9N3O — CID 123581046

IUPACamino-[(4-ethynyl-2-pyridinyl)amino]methanol
SMILESC#Cc1ccnc(NC(N)O)c1
InChIInChI=1S/C8H9N3O/c1-2-6-3-4-10-7(5-6)11-8(9)12/h1,3-5,8,12H,9H2,(H,10,11)
InChIKeyNDJIYOZFTGPSKO-UHFFFAOYSA-N
MW163.18 g/mol
LogP-0.29
Rot. Bonds2

About amino-[(4-ethynyl-2-pyridinyl)amino]methanol

amino-[(4-ethynyl-2-pyridinyl)amino]methanol (PubChem CID 123581046) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is amino-[(4-ethynyl-2-pyridinyl)amino]methanol.

Molecular Properties

Compound Nameamino-[(4-ethynyl-2-pyridinyl)amino]methanol
PubChem CID123581046
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Nameamino-[(4-ethynyl-2-pyridinyl)amino]methanol
SMILESC#Cc1ccnc(NC(N)O)c1
InChIInChI=1S/C8H9N3O/c1-2-6-3-4-10-7(5-6)11-8(9)12/h1,3-5,8,12H,9H2,(H,10,11)
InChIKeyNDJIYOZFTGPSKO-UHFFFAOYSA-N
XLogP-0.29
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-2-(4-ethynyl-2-pyridinyl)ethanol
CID 74891601
(1R)-1-(4-ethynyl-2-pyridinyl)ethane-1,2-diamine
CID 74891570
(1R)-1-(4-ethynyl-2-pyridinyl)-N-methylethanamine
CID 74890287
2-(3-methylbutan-2-ylamino)pyridine-4-carbonitrile
CID 43131440
2-N-pent-1-yn-3-ylpyridine-2,4-diamine
CID 106233105
2-[(4-ethynylpyridine-2-carbonyl)amino]acetic acid
CID 146155968
4-ethynyl-2-methylsulfonylpyridine
CID 23436956
2-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile
CID 63926299
2-[[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]amino]pyridine-4-carbonitrile
CID 125142292
2-[(4-cyano-2-pyridinyl)amino]butanoic acid
CID 43470148
2-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile
CID 63183198
4-ethynyl-2-(3-methylphenyl)pyridine
CID 171365551

Frequently Asked Questions

What is the IUPAC name of amino-[(4-ethynyl-2-pyridinyl)amino]methanol?
The IUPAC name of amino-[(4-ethynyl-2-pyridinyl)amino]methanol (CID 123581046) is amino-[(4-ethynyl-2-pyridinyl)amino]methanol.
What is the SMILES notation for amino-[(4-ethynyl-2-pyridinyl)amino]methanol?
The canonical SMILES for amino-[(4-ethynyl-2-pyridinyl)amino]methanol is C#Cc1ccnc(NC(N)O)c1.
What is the InChIKey of amino-[(4-ethynyl-2-pyridinyl)amino]methanol?
The InChIKey is NDJIYOZFTGPSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-2-6-3-4-10-7(5-6)11-8(9)12/h1,3-5,8,12H,9H2,(H,10,11).
What are the key properties of amino-[(4-ethynyl-2-pyridinyl)amino]methanol?
amino-[(4-ethynyl-2-pyridinyl)amino]methanol has a molecular weight of 163.18 g/mol, XLogP of -0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[(4-ethynyl-2-pyridinyl)amino]methanol is sourced from PubChem (CID 123581046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).