3-[2-hydrazinyl-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine

C9H13N7 — CID 105230663

IUPAC3-[2-hydrazinyl-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine
SMILESNNC(Cc1cnccc1N)c1ncn[nH]1
InChIInChI=1S/C9H13N7/c10-7-1-2-12-4-6(7)3-8(15-11)9-13-5-14-16-9/h1-2,4-5,8,15H,3,11H2,(H2,10,12)(H,13,14,16)
InChIKeyJOVMWLBLBHFYMZ-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.47
Rot. Bonds4

About 3-[2-hydrazinyl-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine

3-[2-hydrazinyl-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine (PubChem CID 105230663) has the molecular formula C9H13N7 and a molecular weight of 219.25 g/mol. Its IUPAC name is 3-[2-hydrazinyl-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[2-hydrazinyl-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine
PubChem CID105230663
Molecular FormulaC9H13N7
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name3-[2-hydrazinyl-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine
SMILESNNC(Cc1cnccc1N)c1ncn[nH]1
InChIInChI=1S/C9H13N7/c10-7-1-2-12-4-6(7)3-8(15-11)9-13-5-14-16-9/h1-2,4-5,8,15H,3,11H2,(H2,10,12)(H,13,14,16)
InChIKeyJOVMWLBLBHFYMZ-UHFFFAOYSA-N
XLogP-0.47
TPSA118.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-(ethylamino)-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine
CID 65360457
3-[2-(propylamino)-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine
CID 65360364
3-[2-(3-bromo-2-pyridinyl)-2-hydrazinylethyl]pyridin-4-amine
CID 105268247
3-(2-hydrazinyl-3-methylbutyl)pyridin-4-amine
CID 105199730
3-[2-hydrazinyl-2-(4-methoxyphenyl)ethyl]pyridin-4-amine
CID 105191007
[2-(5-bromo-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine
CID 105230433
[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine
CID 105230310
3-[2-(2-bromo-4-methylphenyl)-2-hydrazinylethyl]pyridin-4-amine
CID 114015578
[2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine
CID 105230474
3-[2-(2-fluoro-6-methoxyphenyl)-2-hydrazinylethyl]pyridin-4-amine
CID 105252589
1-(1H-1,2,4-triazol-5-yl)but-3-enylhydrazine
CID 105230523
3-(5,5,5-trifluoro-2-hydrazinylpentyl)pyridin-4-amine
CID 105249119

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydrazinyl-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine?
The IUPAC name of 3-[2-hydrazinyl-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine (CID 105230663) is 3-[2-hydrazinyl-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for 3-[2-hydrazinyl-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine?
The canonical SMILES for 3-[2-hydrazinyl-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine is NNC(Cc1cnccc1N)c1ncn[nH]1.
What is the InChIKey of 3-[2-hydrazinyl-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine?
The InChIKey is JOVMWLBLBHFYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7/c10-7-1-2-12-4-6(7)3-8(15-11)9-13-5-14-16-9/h1-2,4-5,8,15H,3,11H2,(H2,10,12)(H,13,14,16).
What are the key properties of 3-[2-hydrazinyl-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine?
3-[2-hydrazinyl-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine has a molecular weight of 219.25 g/mol, XLogP of -0.47, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydrazinyl-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 105230663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).