1-(6-ethynyl-3-pyridinyl)ethane-1,2-diamine

C9H11N3 — CID 74892240

IUPAC1-(6-ethynyl-3-pyridinyl)ethane-1,2-diamine
SMILESC#Cc1ccc(C(N)CN)cn1
InChIInChI=1S/C9H11N3/c1-2-8-4-3-7(6-12-8)9(11)5-10/h1,3-4,6,9H,5,10-11H2
InChIKeyCXJZBEILHJKCAG-UHFFFAOYSA-N
MW161.21 g/mol
LogP0.02
Rot. Bonds2

About 1-(6-ethynyl-3-pyridinyl)ethane-1,2-diamine

1-(6-ethynyl-3-pyridinyl)ethane-1,2-diamine (PubChem CID 74892240) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 1-(6-ethynyl-3-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(6-ethynyl-3-pyridinyl)ethane-1,2-diamine
PubChem CID74892240
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name1-(6-ethynyl-3-pyridinyl)ethane-1,2-diamine
SMILESC#Cc1ccc(C(N)CN)cn1
InChIInChI=1S/C9H11N3/c1-2-8-4-3-7(6-12-8)9(11)5-10/h1,3-4,6,9H,5,10-11H2
InChIKeyCXJZBEILHJKCAG-UHFFFAOYSA-N
XLogP0.02
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(6-ethoxy-3-pyridinyl)ethane-1,2-diamine
CID 55275153
5-(1,2-diaminoethyl)pyridine-2-carboxylic acid
CID 55292974
CID 89082455
CID 89082455
5-(1-amino-3-hydroxypropyl)pyridine-2-carbonitrile
CID 55293167
(1R)-1-(5-ethynyl-3-pyridinyl)ethane-1,2-diamine
CID 74891559
5-[(1R)-1-aminobut-3-enyl]pyridine-2-carbonitrile
CID 131097026
(6-ethynyl-3-pyridinyl)hydrazine
CID 74892196
1-(6-cyclopentyloxy-3-pyridinyl)ethane-1,2-diamine
CID 170894791
(1S)-1-(3-ethynyl-4-pyridinyl)ethane-1,2-diamine
CID 74891556
5-[(1S)-1,2-diaminoethyl]pyridine-2,3-diamine
CID 130738641
(1R)-1-(4-ethynyl-2-pyridinyl)ethane-1,2-diamine
CID 74891570
5-tert-butyl-2-ethynylpyridine
CID 74788346

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethynyl-3-pyridinyl)ethane-1,2-diamine?
The IUPAC name of 1-(6-ethynyl-3-pyridinyl)ethane-1,2-diamine (CID 74892240) is 1-(6-ethynyl-3-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(6-ethynyl-3-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for 1-(6-ethynyl-3-pyridinyl)ethane-1,2-diamine is C#Cc1ccc(C(N)CN)cn1.
What is the InChIKey of 1-(6-ethynyl-3-pyridinyl)ethane-1,2-diamine?
The InChIKey is CXJZBEILHJKCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-2-8-4-3-7(6-12-8)9(11)5-10/h1,3-4,6,9H,5,10-11H2.
What are the key properties of 1-(6-ethynyl-3-pyridinyl)ethane-1,2-diamine?
1-(6-ethynyl-3-pyridinyl)ethane-1,2-diamine has a molecular weight of 161.21 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethynyl-3-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 74892240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).