[(1-methylpyrazol-4-yl)-(thian-2-yl)methyl]hydrazine

C10H18N4S — CID 105255705

IUPAC[(1-methylpyrazol-4-yl)-(thian-2-yl)methyl]hydrazine
SMILESCn1cc(C(NN)C2CCCCS2)cn1
InChIInChI=1S/C10H18N4S/c1-14-7-8(6-12-14)10(13-11)9-4-2-3-5-15-9/h6-7,9-10,13H,2-5,11H2,1H3
InChIKeySOCKGXCHWRLAGO-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.21
Rot. Bonds3

About [(1-methylpyrazol-4-yl)-(thian-2-yl)methyl]hydrazine

[(1-methylpyrazol-4-yl)-(thian-2-yl)methyl]hydrazine (PubChem CID 105255705) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is [(1-methylpyrazol-4-yl)-(thian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(1-methylpyrazol-4-yl)-(thian-2-yl)methyl]hydrazine
PubChem CID105255705
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name[(1-methylpyrazol-4-yl)-(thian-2-yl)methyl]hydrazine
SMILESCn1cc(C(NN)C2CCCCS2)cn1
InChIInChI=1S/C10H18N4S/c1-14-7-8(6-12-14)10(13-11)9-4-2-3-5-15-9/h6-7,9-10,13H,2-5,11H2,1H3
InChIKeySOCKGXCHWRLAGO-UHFFFAOYSA-N
XLogP1.21
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[7-bicyclo[4.1.0]heptanyl-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105288758
[(4-propan-2-ylphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255964
[(4-chloro-1-propylpyrazol-5-yl)-(thian-2-yl)methyl]hydrazine
CID 105255730
[(2,2-dimethylcyclopropyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 107005575
[(4-propan-2-ylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255613
[thian-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105255884
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine
CID 105255309
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine
CID 105255597
[(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255443
[3-cyclopentyl-1-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 105288733
N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-(1-methylpyrazol-4-yl)methanamine
CID 115386793
[(4-ethylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255558

Frequently Asked Questions

What is the IUPAC name of [(1-methylpyrazol-4-yl)-(thian-2-yl)methyl]hydrazine?
The IUPAC name of [(1-methylpyrazol-4-yl)-(thian-2-yl)methyl]hydrazine (CID 105255705) is [(1-methylpyrazol-4-yl)-(thian-2-yl)methyl]hydrazine.
What is the SMILES notation for [(1-methylpyrazol-4-yl)-(thian-2-yl)methyl]hydrazine?
The canonical SMILES for [(1-methylpyrazol-4-yl)-(thian-2-yl)methyl]hydrazine is Cn1cc(C(NN)C2CCCCS2)cn1.
What is the InChIKey of [(1-methylpyrazol-4-yl)-(thian-2-yl)methyl]hydrazine?
The InChIKey is SOCKGXCHWRLAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-14-7-8(6-12-14)10(13-11)9-4-2-3-5-15-9/h6-7,9-10,13H,2-5,11H2,1H3.
What are the key properties of [(1-methylpyrazol-4-yl)-(thian-2-yl)methyl]hydrazine?
[(1-methylpyrazol-4-yl)-(thian-2-yl)methyl]hydrazine has a molecular weight of 226.35 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-methylpyrazol-4-yl)-(thian-2-yl)methyl]hydrazine is sourced from PubChem (CID 105255705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).