[quinolin-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine

C12H12N6 — CID 105230361

IUPAC[quinolin-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine
SMILESNNC(c1ncn[nH]1)c1cccc2cccnc12
InChIInChI=1S/C12H12N6/c13-17-11(12-15-7-16-18-12)9-5-1-3-8-4-2-6-14-10(8)9/h1-7,11,17H,13H2,(H,15,16,18)
InChIKeyJNHBARREUHIWLY-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.91
Rot. Bonds3

About [quinolin-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine

[quinolin-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine (PubChem CID 105230361) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is [quinolin-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[quinolin-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine
PubChem CID105230361
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name[quinolin-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine
SMILESNNC(c1ncn[nH]1)c1cccc2cccnc12
InChIInChI=1S/C12H12N6/c13-17-11(12-15-7-16-18-12)9-5-1-3-8-4-2-6-14-10(8)9/h1-7,11,17H,13H2,(H,15,16,18)
InChIKeyJNHBARREUHIWLY-UHFFFAOYSA-N
XLogP0.91
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.91
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

quinolin-8-yl(1H-1,2,4-triazol-5-yl)methanol
CID 81219926
[(4-fluorophenyl)-quinolin-8-ylmethyl]hydrazine
CID 105192623
[(2-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230315
[(4-ethylphenyl)-quinolin-8-ylmethyl]hydrazine
CID 105197296
[(3,5-dibromophenyl)-quinolin-8-ylmethyl]hydrazine
CID 107979324
[(3-methylphenyl)-quinolin-8-ylmethyl]hydrazine
CID 105200639
[quinolin-8-yl(1,3-thiazol-5-yl)methyl]hydrazine
CID 105253658
[(2,6-dimethyl-3-pyridinyl)-quinolin-8-ylmethyl]hydrazine
CID 105327389
[(4-methoxyphenyl)-quinolin-8-ylmethyl]hydrazine
CID 105190768
[(3,4-dimethylphenyl)-quinolin-8-ylmethyl]hydrazine
CID 105300235
[(3-methyl-4-pyridinyl)-quinolin-8-ylmethyl]hydrazine
CID 105261759
[(2,4-dimethylphenyl)-quinolin-8-ylmethyl]hydrazine
CID 105304674

Frequently Asked Questions

What is the IUPAC name of [quinolin-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine?
The IUPAC name of [quinolin-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine (CID 105230361) is [quinolin-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [quinolin-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine?
The canonical SMILES for [quinolin-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine is NNC(c1ncn[nH]1)c1cccc2cccnc12.
What is the InChIKey of [quinolin-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine?
The InChIKey is JNHBARREUHIWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c13-17-11(12-15-7-16-18-12)9-5-1-3-8-4-2-6-14-10(8)9/h1-7,11,17H,13H2,(H,15,16,18).
What are the key properties of [quinolin-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine?
[quinolin-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine has a molecular weight of 240.27 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [quinolin-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105230361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).