3-(2-hydrazinyl-2-isoquinolin-1-ylethyl)pyridin-2-amine

C16H17N5 — CID 105220678

IUPAC3-(2-hydrazinyl-2-isoquinolin-1-ylethyl)pyridin-2-amine
SMILESNNC(Cc1cccnc1N)c1nccc2ccccc12
InChIInChI=1S/C16H17N5/c17-16-12(5-3-8-20-16)10-14(21-18)15-13-6-2-1-4-11(13)7-9-19-15/h1-9,14,21H,10,18H2,(H2,17,20)
InChIKeyITLVMQPVIGOISM-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.96
Rot. Bonds4

About 3-(2-hydrazinyl-2-isoquinolin-1-ylethyl)pyridin-2-amine

3-(2-hydrazinyl-2-isoquinolin-1-ylethyl)pyridin-2-amine (PubChem CID 105220678) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-(2-hydrazinyl-2-isoquinolin-1-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(2-hydrazinyl-2-isoquinolin-1-ylethyl)pyridin-2-amine
PubChem CID105220678
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name3-(2-hydrazinyl-2-isoquinolin-1-ylethyl)pyridin-2-amine
SMILESNNC(Cc1cccnc1N)c1nccc2ccccc12
InChIInChI=1S/C16H17N5/c17-16-12(5-3-8-20-16)10-14(21-18)15-13-6-2-1-4-11(13)7-9-19-15/h1-9,14,21H,10,18H2,(H2,17,20)
InChIKeyITLVMQPVIGOISM-UHFFFAOYSA-N
XLogP1.96
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3-chloro-2-pyridinyl)-2-hydrazinylethyl]pyridin-2-amine
CID 103445799
3-[2-(4-chlorophenyl)-2-hydrazinylethyl]pyridin-2-amine
CID 105193448
1-isoquinolin-1-ylpentylhydrazine
CID 105220521
3-[2-hydrazinyl-2-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 105190972
(2-cyclobutyl-1-isoquinolin-1-ylethyl)hydrazine
CID 105220628
(1-isoquinolin-1-yl-3-methylbut-3-enyl)hydrazine
CID 105220668
3-[2-hydrazinyl-2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 105254539
3-[2-(5-chloro-2-pyridinyl)-2-hydrazinylethyl]pyridin-2-amine
CID 105251608
3-[2-hydrazinyl-2-(4-methylsulfanylphenyl)ethyl]pyridin-2-amine
CID 106850370
[1-(3-ethyl-2-pyridinyl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105263790
(1-isoquinolin-1-yl-5,5-dimethylhex-3-ynyl)hydrazine
CID 114190757
[2-(2-bromophenyl)-1-(3-chloro-2-pyridinyl)ethyl]hydrazine
CID 103445803

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydrazinyl-2-isoquinolin-1-ylethyl)pyridin-2-amine?
The IUPAC name of 3-(2-hydrazinyl-2-isoquinolin-1-ylethyl)pyridin-2-amine (CID 105220678) is 3-(2-hydrazinyl-2-isoquinolin-1-ylethyl)pyridin-2-amine.
What is the SMILES notation for 3-(2-hydrazinyl-2-isoquinolin-1-ylethyl)pyridin-2-amine?
The canonical SMILES for 3-(2-hydrazinyl-2-isoquinolin-1-ylethyl)pyridin-2-amine is NNC(Cc1cccnc1N)c1nccc2ccccc12.
What is the InChIKey of 3-(2-hydrazinyl-2-isoquinolin-1-ylethyl)pyridin-2-amine?
The InChIKey is ITLVMQPVIGOISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c17-16-12(5-3-8-20-16)10-14(21-18)15-13-6-2-1-4-11(13)7-9-19-15/h1-9,14,21H,10,18H2,(H2,17,20).
What are the key properties of 3-(2-hydrazinyl-2-isoquinolin-1-ylethyl)pyridin-2-amine?
3-(2-hydrazinyl-2-isoquinolin-1-ylethyl)pyridin-2-amine has a molecular weight of 279.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydrazinyl-2-isoquinolin-1-ylethyl)pyridin-2-amine is sourced from PubChem (CID 105220678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).