(1R)-1-(5-ethynyl-3-pyridinyl)ethane-1,2-diamine

C9H11N3 — CID 74891559

IUPAC(1R)-1-(5-ethynyl-3-pyridinyl)ethane-1,2-diamine
SMILESC#Cc1cncc([C@@H](N)CN)c1
InChIInChI=1S/C9H11N3/c1-2-7-3-8(6-12-5-7)9(11)4-10/h1,3,5-6,9H,4,10-11H2/t9-/m0/s1
InChIKeyDWCPJRVWAHNEAT-VIFPVBQESA-N
MW161.21 g/mol
LogP0.02
Rot. Bonds2

About (1R)-1-(5-ethynyl-3-pyridinyl)ethane-1,2-diamine

(1R)-1-(5-ethynyl-3-pyridinyl)ethane-1,2-diamine (PubChem CID 74891559) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is (1R)-1-(5-ethynyl-3-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(5-ethynyl-3-pyridinyl)ethane-1,2-diamine
PubChem CID74891559
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name(1R)-1-(5-ethynyl-3-pyridinyl)ethane-1,2-diamine
SMILESC#Cc1cncc([C@@H](N)CN)c1
InChIInChI=1S/C9H11N3/c1-2-7-3-8(6-12-5-7)9(11)4-10/h1,3,5-6,9H,4,10-11H2/t9-/m0/s1
InChIKeyDWCPJRVWAHNEAT-VIFPVBQESA-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

1-(5-ethynyl-3-pyridinyl)ethanamine
CID 74788737
5-[(1S)-1,2-diaminoethyl]pyridin-3-ol
CID 55273539
5-[(1S)-1-aminopropyl]pyridine-3-carbonitrile
CID 130664792
5-[(1R)-1-aminopentyl]pyridine-3-carbonitrile
CID 55263350
1-(6-ethynyl-3-pyridinyl)ethane-1,2-diamine
CID 74892240
3-[2-[3,5-bis[2-(5-ethynyl-3-pyridinyl)ethynyl]phenyl]ethynyl]-5-ethynylpyridine
CID 143762177
(1R)-1-(4-ethynyl-2-pyridinyl)ethane-1,2-diamine
CID 74891570
5-ethynylpyridine-3-thiol
CID 74892547
1-(5-methyl-3-pyridinyl)hex-5-yn-1-amine
CID 105179674
(1S)-1-(3-ethynyl-4-pyridinyl)ethane-1,2-diamine
CID 74891556
5-[(1S)-1,2-diaminoethyl]pyridine-2,3-diamine
CID 130738641
3-bromo-5-ethynylpyridine;hydrochloride
CID 154574940

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-ethynyl-3-pyridinyl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(5-ethynyl-3-pyridinyl)ethane-1,2-diamine (CID 74891559) is (1R)-1-(5-ethynyl-3-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(5-ethynyl-3-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(5-ethynyl-3-pyridinyl)ethane-1,2-diamine is C#Cc1cncc([C@@H](N)CN)c1.
What is the InChIKey of (1R)-1-(5-ethynyl-3-pyridinyl)ethane-1,2-diamine?
The InChIKey is DWCPJRVWAHNEAT-VIFPVBQESA-N. The full InChI is InChI=1S/C9H11N3/c1-2-7-3-8(6-12-5-7)9(11)4-10/h1,3,5-6,9H,4,10-11H2/t9-/m0/s1.
What are the key properties of (1R)-1-(5-ethynyl-3-pyridinyl)ethane-1,2-diamine?
(1R)-1-(5-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 (1R)-1-(5-ethynyl-3-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 74891559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).