[2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-4-pyridinyl]hydrazine

C8H10N6S — CID 79259678

IUPAC[2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-4-pyridinyl]hydrazine
SMILESNNc1ccnc(CSc2ncn[nH]2)c1
InChIInChI=1S/C8H10N6S/c9-13-6-1-2-10-7(3-6)4-15-8-11-5-12-14-8/h1-3,5H,4,9H2,(H,10,13)(H,11,12,14)
InChIKeyKVIZQFNEGMEVSK-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.78
Rot. Bonds4

About [2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-4-pyridinyl]hydrazine

[2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-4-pyridinyl]hydrazine (PubChem CID 79259678) has the molecular formula C8H10N6S and a molecular weight of 222.28 g/mol. Its IUPAC name is [2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-4-pyridinyl]hydrazine.

Molecular Properties

Compound Name[2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-4-pyridinyl]hydrazine
PubChem CID79259678
Molecular FormulaC8H10N6S
Molecular Weight222.28 g/mol
Exact Mass222.07
IUPAC Name[2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-4-pyridinyl]hydrazine
SMILESNNc1ccnc(CSc2ncn[nH]2)c1
InChIInChI=1S/C8H10N6S/c9-13-6-1-2-10-7(3-6)4-15-8-11-5-12-14-8/h1-3,5H,4,9H2,(H,10,13)(H,11,12,14)
InChIKeyKVIZQFNEGMEVSK-UHFFFAOYSA-N
XLogP0.78
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.78
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 [2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-4-pyridinyl]hydrazine?
The IUPAC name of [2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-4-pyridinyl]hydrazine (CID 79259678) is [2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-4-pyridinyl]hydrazine.
What is the SMILES notation for [2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-4-pyridinyl]hydrazine?
The canonical SMILES for [2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-4-pyridinyl]hydrazine is NNc1ccnc(CSc2ncn[nH]2)c1.
What is the InChIKey of [2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-4-pyridinyl]hydrazine?
The InChIKey is KVIZQFNEGMEVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6S/c9-13-6-1-2-10-7(3-6)4-15-8-11-5-12-14-8/h1-3,5H,4,9H2,(H,10,13)(H,11,12,14).
What are the key properties of [2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-4-pyridinyl]hydrazine?
[2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-4-pyridinyl]hydrazine has a molecular weight of 222.28 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-4-pyridinyl]hydrazine is sourced from PubChem (CID 79259678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).