(1R)-1-(4-ethynyl-2-pyridinyl)ethane-1,2-diamine

C9H11N3 — CID 74891570

IUPAC(1R)-1-(4-ethynyl-2-pyridinyl)ethane-1,2-diamine
SMILESC#Cc1ccnc([C@H](N)CN)c1
InChIInChI=1S/C9H11N3/c1-2-7-3-4-12-9(5-7)8(11)6-10/h1,3-5,8H,6,10-11H2/t8-/m1/s1
InChIKeyGIILRJFDAKYWBD-MRVPVSSYSA-N
MW161.21 g/mol
LogP0.02
Rot. Bonds2

About (1R)-1-(4-ethynyl-2-pyridinyl)ethane-1,2-diamine

(1R)-1-(4-ethynyl-2-pyridinyl)ethane-1,2-diamine (PubChem CID 74891570) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is (1R)-1-(4-ethynyl-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(4-ethynyl-2-pyridinyl)ethane-1,2-diamine
PubChem CID74891570
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name(1R)-1-(4-ethynyl-2-pyridinyl)ethane-1,2-diamine
SMILESC#Cc1ccnc([C@H](N)CN)c1
InChIInChI=1S/C9H11N3/c1-2-7-3-4-12-9(5-7)8(11)6-10/h1,3-5,8H,6,10-11H2/t8-/m1/s1
InChIKeyGIILRJFDAKYWBD-MRVPVSSYSA-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'}

Analyze (1R)-1-(4-ethynyl-2-pyridinyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-2-(4-ethynyl-2-pyridinyl)ethanol
CID 74891601
(1R)-1-(4-ethynyl-2-pyridinyl)-N-methylethanamine
CID 74890287
amino-[(4-ethynyl-2-pyridinyl)amino]methanol
CID 123581046
(1R)-1-(5-ethynyl-3-pyridinyl)ethane-1,2-diamine
CID 74891559
4-ethynyl-2-methylsulfonylpyridine
CID 23436956
1-(6-ethynyl-3-pyridinyl)ethane-1,2-diamine
CID 74892240
(1S)-1-(3-ethynyl-4-pyridinyl)ethane-1,2-diamine
CID 74891556
(2S)-2-amino-2-[4-(hydroxymethyl)-2-pyridinyl]ethanol
CID 55262518
(1S)-1-(6-bromo-5-iodo-2-pyridinyl)ethane-1,2-diamine
CID 130632441
2-(difluoromethyl)pyridine-4-carbonitrile
CID 75406284
1-(3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 55293817
[2-[(1S)-1-aminopropyl]-4-pyridinyl]methanol
CID 130677514

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-ethynyl-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(4-ethynyl-2-pyridinyl)ethane-1,2-diamine (CID 74891570) is (1R)-1-(4-ethynyl-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(4-ethynyl-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(4-ethynyl-2-pyridinyl)ethane-1,2-diamine is C#Cc1ccnc([C@H](N)CN)c1.
What is the InChIKey of (1R)-1-(4-ethynyl-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is GIILRJFDAKYWBD-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11N3/c1-2-7-3-4-12-9(5-7)8(11)6-10/h1,3-5,8H,6,10-11H2/t8-/m1/s1.
What are the key properties of (1R)-1-(4-ethynyl-2-pyridinyl)ethane-1,2-diamine?
(1R)-1-(4-ethynyl-2-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 (1R)-1-(4-ethynyl-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 74891570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).