[5-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-yl]hydrazine

C7H8ClN7S — CID 80923061

IUPAC[5-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-yl]hydrazine
SMILESCc1nc(Sc2nc(NN)ncc2Cl)n[nH]1
InChIInChI=1S/C7H8ClN7S/c1-3-11-7(15-14-3)16-5-4(8)2-10-6(12-5)13-9/h2H,9H2,1H3,(H,10,12,13)(H,11,14,15)
InChIKeyPLCGOIWWFZFQGP-UHFFFAOYSA-N
MW257.71 g/mol
LogP0.99
Rot. Bonds3

About [5-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-yl]hydrazine

[5-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-yl]hydrazine (PubChem CID 80923061) has the molecular formula C7H8ClN7S and a molecular weight of 257.71 g/mol. Its IUPAC name is [5-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-yl]hydrazine
PubChem CID80923061
Molecular FormulaC7H8ClN7S
Molecular Weight257.71 g/mol
Exact Mass257.03
IUPAC Name[5-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-yl]hydrazine
SMILESCc1nc(Sc2nc(NN)ncc2Cl)n[nH]1
InChIInChI=1S/C7H8ClN7S/c1-3-11-7(15-14-3)16-5-4(8)2-10-6(12-5)13-9/h2H,9H2,1H3,(H,10,12,13)(H,11,14,15)
InChIKeyPLCGOIWWFZFQGP-UHFFFAOYSA-N
XLogP0.99
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.71
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

[5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80931464
[5-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrimidin-2-yl]hydrazine
CID 102927134
5-bromo-3-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine
CID 103583844
3-bromo-5-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine
CID 114837975
3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 80929223
[4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine
CID 80930355
[5-chloro-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-yl]hydrazine
CID 80922564
3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylbutan-2-ol
CID 107772950
(4-butylsulfanyl-5-chloropyrimidin-2-yl)hydrazine
CID 80921912
[5-chloro-4-(3-fluorophenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80927318
[4-(3,4-dichlorophenyl)sulfanyl-5-methylpyrimidin-2-yl]hydrazine
CID 80929193
3-bromo-5-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine
CID 105368449

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-yl]hydrazine (CID 80923061) is [5-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-yl]hydrazine is Cc1nc(Sc2nc(NN)ncc2Cl)n[nH]1.
What is the InChIKey of [5-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-yl]hydrazine?
The InChIKey is PLCGOIWWFZFQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN7S/c1-3-11-7(15-14-3)16-5-4(8)2-10-6(12-5)13-9/h2H,9H2,1H3,(H,10,12,13)(H,11,14,15).
What are the key properties of [5-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-yl]hydrazine?
[5-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-yl]hydrazine has a molecular weight of 257.71 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80923061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).