N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine

C12H18N6 — CID 112672293

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine
SMILESCCc1nn(C)cc1CNc1cccc(NN)n1
InChIInChI=1S/C12H18N6/c1-3-10-9(8-18(2)17-10)7-14-11-5-4-6-12(15-11)16-13/h4-6,8H,3,7,13H2,1-2H3,(H2,14,15,16)
InChIKeyYFMJZLMHDZDRSV-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.28
Rot. Bonds5

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine (PubChem CID 112672293) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine
PubChem CID112672293
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine
SMILESCCc1nn(C)cc1CNc1cccc(NN)n1
InChIInChI=1S/C12H18N6/c1-3-10-9(8-18(2)17-10)7-14-11-5-4-6-12(15-11)16-13/h4-6,8H,3,7,13H2,1-2H3,(H2,14,15,16)
InChIKeyYFMJZLMHDZDRSV-UHFFFAOYSA-N
XLogP1.28
TPSA80.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.28
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 N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine (CID 112672293) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine is CCc1nn(C)cc1CNc1cccc(NN)n1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine?
The InChIKey is YFMJZLMHDZDRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-3-10-9(8-18(2)17-10)7-14-11-5-4-6-12(15-11)16-13/h4-6,8H,3,7,13H2,1-2H3,(H2,14,15,16).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine has a molecular weight of 246.32 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine is sourced from PubChem (CID 112672293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).