3-[hydrazinyl-(4-methoxyphenyl)methyl]pyridin-2-amine

C13H16N4O — CID 105190854

IUPAC3-[hydrazinyl-(4-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(C(NN)c2cccnc2N)cc1
InChIInChI=1S/C13H16N4O/c1-18-10-6-4-9(5-7-10)12(17-15)11-3-2-8-16-13(11)14/h2-8,12,17H,15H2,1H3,(H2,14,16)
InChIKeyMVQQRIZEFXRSAO-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.23
Rot. Bonds4

About 3-[hydrazinyl-(4-methoxyphenyl)methyl]pyridin-2-amine

3-[hydrazinyl-(4-methoxyphenyl)methyl]pyridin-2-amine (PubChem CID 105190854) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-[hydrazinyl-(4-methoxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[hydrazinyl-(4-methoxyphenyl)methyl]pyridin-2-amine
PubChem CID105190854
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-[hydrazinyl-(4-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(C(NN)c2cccnc2N)cc1
InChIInChI=1S/C13H16N4O/c1-18-10-6-4-9(5-7-10)12(17-15)11-3-2-8-16-13(11)14/h2-8,12,17H,15H2,1H3,(H2,14,16)
InChIKeyMVQQRIZEFXRSAO-UHFFFAOYSA-N
XLogP1.23
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.23
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

[(4-methoxyphenyl)-quinolin-8-ylmethyl]hydrazine
CID 105190768
3-[(4-ethylphenyl)-hydrazinylmethyl]pyridin-2-amine
CID 105197382
[(2-methoxy-3-pyridinyl)-(4-methylphenyl)methyl]hydrazine
CID 105285352
[isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105190925
3-[2-hydrazinyl-2-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 105190972
3-[furan-3-yl(hydrazinyl)methyl]pyridin-2-amine
CID 105221322
3-[(3,5-dichlorophenyl)-hydrazinylmethyl]pyridin-2-amine
CID 107918402
[(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105190882
3-[(2-fluoro-4-methoxyphenyl)-(methylamino)methyl]pyridin-2-amine
CID 81304169
3-[hydrazinyl(naphthalen-1-yl)methyl]pyridin-2-amine
CID 105213234
3-[(2-chloro-4-pyridinyl)-hydrazinylmethyl]pyridin-2-amine
CID 105252731
[(4-methoxyphenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105190970

Frequently Asked Questions

What is the IUPAC name of 3-[hydrazinyl-(4-methoxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of 3-[hydrazinyl-(4-methoxyphenyl)methyl]pyridin-2-amine (CID 105190854) is 3-[hydrazinyl-(4-methoxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[hydrazinyl-(4-methoxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-[hydrazinyl-(4-methoxyphenyl)methyl]pyridin-2-amine is COc1ccc(C(NN)c2cccnc2N)cc1.
What is the InChIKey of 3-[hydrazinyl-(4-methoxyphenyl)methyl]pyridin-2-amine?
The InChIKey is MVQQRIZEFXRSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-18-10-6-4-9(5-7-10)12(17-15)11-3-2-8-16-13(11)14/h2-8,12,17H,15H2,1H3,(H2,14,16).
What are the key properties of 3-[hydrazinyl-(4-methoxyphenyl)methyl]pyridin-2-amine?
3-[hydrazinyl-(4-methoxyphenyl)methyl]pyridin-2-amine has a molecular weight of 244.30 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydrazinyl-(4-methoxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 105190854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).