[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

C13H18N8 — CID 115563123

IUPAC[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
SMILESNNc1nc(N2CC3CCCC3C2)nc(-n2cccn2)n1
InChIInChI=1S/C13H18N8/c14-19-11-16-12(18-13(17-11)21-6-2-5-15-21)20-7-9-3-1-4-10(9)8-20/h2,5-6,9-10H,1,3-4,7-8,14H2,(H,16,17,18,19)
InChIKeyWBGOSWGYRRNERD-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.58
Rot. Bonds3

About [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

[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 (PubChem CID 115563123) has the molecular formula C13H18N8 and a molecular weight of 286.34 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID115563123
Molecular FormulaC13H18N8
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name[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
SMILESNNc1nc(N2CC3CCCC3C2)nc(-n2cccn2)n1
InChIInChI=1S/C13H18N8/c14-19-11-16-12(18-13(17-11)21-6-2-5-15-21)20-7-9-3-1-4-10(9)8-20/h2,5-6,9-10H,1,3-4,7-8,14H2,(H,16,17,18,19)
InChIKeyWBGOSWGYRRNERD-UHFFFAOYSA-N
XLogP0.58
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.58
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'}

Analyze [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 with MolForge

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Related Compounds

N-cyclobutyl-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80919597
(4-cyclobutyloxy-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80930532
4-hydrazinyl-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80938213
[4-(2-ethylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80938606
4-hydrazinyl-N-(oxan-4-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80907252
[4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 83171913
5-[[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one
CID 80909185
[4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80914010
2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80784120
[4-(2-cyclopropylethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 106207854
[4-(oxolan-2-ylmethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80913159
4-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one
CID 106198880

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is NNc1nc(N2CC3CCCC3C2)nc(-n2cccn2)n1.
What is the InChIKey of [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?
The InChIKey is WBGOSWGYRRNERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N8/c14-19-11-16-12(18-13(17-11)21-6-2-5-15-21)20-7-9-3-1-4-10(9)8-20/h2,5-6,9-10H,1,3-4,7-8,14H2,(H,16,17,18,19).
What are the key properties of [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?
[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 has a molecular weight of 286.34 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 115563123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).