[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]quinolin-2-yl]hydrazine

C14H16N6 — CID 62244092

IUPAC[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]quinolin-2-yl]hydrazine
SMILESCc1nc(C)n(Cc2cc3ccccc3nc2NN)n1
InChIInChI=1S/C14H16N6/c1-9-16-10(2)20(19-9)8-12-7-11-5-3-4-6-13(11)17-14(12)18-15/h3-7H,8,15H2,1-2H3,(H,17,18)
InChIKeyBKXKEAZKWRLUQH-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.78
Rot. Bonds3

About [3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]quinolin-2-yl]hydrazine

[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]quinolin-2-yl]hydrazine (PubChem CID 62244092) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is [3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]quinolin-2-yl]hydrazine.

Molecular Properties

Compound Name[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]quinolin-2-yl]hydrazine
PubChem CID62244092
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]quinolin-2-yl]hydrazine
SMILESCc1nc(C)n(Cc2cc3ccccc3nc2NN)n1
InChIInChI=1S/C14H16N6/c1-9-16-10(2)20(19-9)8-12-7-11-5-3-4-6-13(11)17-14(12)18-15/h3-7H,8,15H2,1-2H3,(H,17,18)
InChIKeyBKXKEAZKWRLUQH-UHFFFAOYSA-N
XLogP1.78
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]quinolin-2-yl]hydrazine?
The IUPAC name of [3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]quinolin-2-yl]hydrazine (CID 62244092) is [3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]quinolin-2-yl]hydrazine.
What is the SMILES notation for [3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]quinolin-2-yl]hydrazine?
The canonical SMILES for [3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]quinolin-2-yl]hydrazine is Cc1nc(C)n(Cc2cc3ccccc3nc2NN)n1.
What is the InChIKey of [3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]quinolin-2-yl]hydrazine?
The InChIKey is BKXKEAZKWRLUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-9-16-10(2)20(19-9)8-12-7-11-5-3-4-6-13(11)17-14(12)18-15/h3-7H,8,15H2,1-2H3,(H,17,18).
What are the key properties of [3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]quinolin-2-yl]hydrazine?
[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]quinolin-2-yl]hydrazine has a molecular weight of 268.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]quinolin-2-yl]hydrazine is sourced from PubChem (CID 62244092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).