[4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine

C12H18N8 — CID 80914010

IUPAC[4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESCC1(C)CCCN1c1nc(NN)nc(-n2cccn2)n1
InChIInChI=1S/C12H18N8/c1-12(2)5-3-7-19(12)10-15-9(18-13)16-11(17-10)20-8-4-6-14-20/h4,6,8H,3,5,7,13H2,1-2H3,(H,15,16,17,18)
InChIKeyQNFARGRFOFSGBD-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.72
Rot. Bonds3

About [4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine

[4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80914010) has the molecular formula C12H18N8 and a molecular weight of 274.33 g/mol. Its IUPAC name is [4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
PubChem CID80914010
Molecular FormulaC12H18N8
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name[4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESCC1(C)CCCN1c1nc(NN)nc(-n2cccn2)n1
InChIInChI=1S/C12H18N8/c1-12(2)5-3-7-19(12)10-15-9(18-13)16-11(17-10)20-8-4-6-14-20/h4,6,8H,3,5,7,13H2,1-2H3,(H,15,16,17,18)
InChIKeyQNFARGRFOFSGBD-UHFFFAOYSA-N
XLogP0.72
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.72
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-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80829031
[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 115563123
N-(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)morpholin-4-amine
CID 83027487
(4-cyclobutyloxy-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80930532
[4-(2-ethylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80938606
N-cyclobutyl-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80919597
4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol
CID 81109328
4-hydrazinyl-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80938213
[4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 83171913
2-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 80902539
4-hydrazinyl-N-(4-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80912003
2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 80894247

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine (CID 80914010) is [4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine is CC1(C)CCCN1c1nc(NN)nc(-n2cccn2)n1.
What is the InChIKey of [4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is QNFARGRFOFSGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8/c1-12(2)5-3-7-19(12)10-15-9(18-13)16-11(17-10)20-8-4-6-14-20/h4,6,8H,3,5,7,13H2,1-2H3,(H,15,16,17,18).
What are the key properties of [4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine?
[4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 274.33 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80914010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).