4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine

C11H16N6 — CID 105230863

IUPAC4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine
SMILESCc1ccncc1C(NN)c1cnn(C)c1N
InChIInChI=1S/C11H16N6/c1-7-3-4-14-5-8(7)10(16-13)9-6-15-17(2)11(9)12/h3-6,10,16H,12-13H2,1-2H3
InChIKeyJDSJTLVVIPYNAZ-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.26
Rot. Bonds3

About 4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine

4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine (PubChem CID 105230863) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine
PubChem CID105230863
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine
SMILESCc1ccncc1C(NN)c1cnn(C)c1N
InChIInChI=1S/C11H16N6/c1-7-3-4-14-5-8(7)10(16-13)9-6-15-17(2)11(9)12/h3-6,10,16H,12-13H2,1-2H3
InChIKeyJDSJTLVVIPYNAZ-UHFFFAOYSA-N
XLogP0.26
TPSA94.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.26
H-Bond Donors ≤ 53
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 4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine (CID 105230863) is 4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine is Cc1ccncc1C(NN)c1cnn(C)c1N.
What is the InChIKey of 4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine?
The InChIKey is JDSJTLVVIPYNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-7-3-4-14-5-8(7)10(16-13)9-6-15-17(2)11(9)12/h3-6,10,16H,12-13H2,1-2H3.
What are the key properties of 4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine?
4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine has a molecular weight of 232.29 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 105230863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).