2-[[5-(methylamino)-3-pyridinyl]amino]ethanol

C8H13N3O — CID 104532515

IUPAC2-[[5-(methylamino)-3-pyridinyl]amino]ethanol
SMILESCNc1cncc(NCCO)c1
InChIInChI=1S/C8H13N3O/c1-9-7-4-8(6-10-5-7)11-2-3-12/h4-6,9,11-12H,2-3H2,1H3
InChIKeyTXYGWQKVOGAPKT-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.53
Rot. Bonds4

About 2-[[5-(methylamino)-3-pyridinyl]amino]ethanol

2-[[5-(methylamino)-3-pyridinyl]amino]ethanol (PubChem CID 104532515) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-[[5-(methylamino)-3-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-(methylamino)-3-pyridinyl]amino]ethanol
PubChem CID104532515
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-[[5-(methylamino)-3-pyridinyl]amino]ethanol
SMILESCNc1cncc(NCCO)c1
InChIInChI=1S/C8H13N3O/c1-9-7-4-8(6-10-5-7)11-2-3-12/h4-6,9,11-12H,2-3H2,1H3
InChIKeyTXYGWQKVOGAPKT-UHFFFAOYSA-N
XLogP0.53
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol
CID 106846876
2-[3-[[5-(methylamino)-3-pyridinyl]amino]propoxy]ethanol
CID 106311546
2-[(5-bromo-3-pyridinyl)amino]ethanol
CID 91636071
5-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol
CID 106138149
2-[(5-amino-3-pyridinyl)amino]ethanol;hydrochloride
CID 175403125
3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine
CID 104533155
5-N-(2-ethoxyethyl)-3-N-methylpyridine-3,5-diamine
CID 104533068
3-N-methyl-5-N-(2-propan-2-yloxyethyl)pyridine-3,5-diamine
CID 104767059
2-[[5-(methylamino)-3-pyridinyl]amino]ethyl carbamate
CID 104535709
N-[2-[[5-(methylamino)-3-pyridinyl]amino]ethyl]methanesulfonamide
CID 104532982
ethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate
CID 104534061
3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine
CID 104533920

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methylamino)-3-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[5-(methylamino)-3-pyridinyl]amino]ethanol (CID 104532515) is 2-[[5-(methylamino)-3-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[5-(methylamino)-3-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[5-(methylamino)-3-pyridinyl]amino]ethanol is CNc1cncc(NCCO)c1.
What is the InChIKey of 2-[[5-(methylamino)-3-pyridinyl]amino]ethanol?
The InChIKey is TXYGWQKVOGAPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-9-7-4-8(6-10-5-7)11-2-3-12/h4-6,9,11-12H,2-3H2,1H3.
What are the key properties of 2-[[5-(methylamino)-3-pyridinyl]amino]ethanol?
2-[[5-(methylamino)-3-pyridinyl]amino]ethanol has a molecular weight of 167.21 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methylamino)-3-pyridinyl]amino]ethanol is sourced from PubChem (CID 104532515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).