4-(3,5-diethylpyrazol-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine

C12H20N8 — CID 82698978

IUPAC4-(3,5-diethylpyrazol-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCCc1cc(CC)n(-c2nc(NN)nc(N(C)C)n2)n1
InChIInChI=1S/C12H20N8/c1-5-8-7-9(6-2)20(18-8)12-15-10(17-13)14-11(16-12)19(3)4/h7H,5-6,13H2,1-4H3,(H,14,15,16,17)
InChIKeyYKNAVOFGQWTLRY-UHFFFAOYSA-N
MW276.35 g/mol
LogP0.53
Rot. Bonds5

About 4-(3,5-diethylpyrazol-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine

4-(3,5-diethylpyrazol-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 82698978) has the molecular formula C12H20N8 and a molecular weight of 276.35 g/mol. Its IUPAC name is 4-(3,5-diethylpyrazol-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,5-diethylpyrazol-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID82698978
Molecular FormulaC12H20N8
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name4-(3,5-diethylpyrazol-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCCc1cc(CC)n(-c2nc(NN)nc(N(C)C)n2)n1
InChIInChI=1S/C12H20N8/c1-5-8-7-9(6-2)20(18-8)12-15-10(17-13)14-11(16-12)19(3)4/h7H,5-6,13H2,1-4H3,(H,14,15,16,17)
InChIKeyYKNAVOFGQWTLRY-UHFFFAOYSA-N
XLogP0.53
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(3,5-diethylpyrazol-1-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 82698976
2-N-ethyl-6-hydrazinyl-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80944127
4-hydrazinyl-N,N-dimethyl-6-(4-methylpyrazol-1-yl)-1,3,5-triazin-2-amine
CID 80900827
2-N-ethyl-6-hydrazinyl-4-N,4-N-dimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80918358
4-hydrazinyl-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine
CID 80901888
2-N-[2-(diethylamino)ethyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80931722
2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 106378957
2-N-benzyl-6-hydrazinyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80917534
4-(2-ethylazepan-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 104693151
2-N-(4-bromo-2-ethylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 81287998
4-(4-ethylphenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80915253
2-N-ethyl-6-hydrazinyl-2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80896663

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diethylpyrazol-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,5-diethylpyrazol-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine (CID 82698978) is 4-(3,5-diethylpyrazol-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,5-diethylpyrazol-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,5-diethylpyrazol-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine is CCc1cc(CC)n(-c2nc(NN)nc(N(C)C)n2)n1.
What is the InChIKey of 4-(3,5-diethylpyrazol-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is YKNAVOFGQWTLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8/c1-5-8-7-9(6-2)20(18-8)12-15-10(17-13)14-11(16-12)19(3)4/h7H,5-6,13H2,1-4H3,(H,14,15,16,17).
What are the key properties of 4-(3,5-diethylpyrazol-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
4-(3,5-diethylpyrazol-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 276.35 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diethylpyrazol-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 82698978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).