[4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine

C6H8N8S — CID 80922093

IUPAC[4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine
SMILESCn1nnnc1Sc1ccnc(NN)n1
InChIInChI=1S/C6H8N8S/c1-14-6(11-12-13-14)15-4-2-3-8-5(9-4)10-7/h2-3H,7H2,1H3,(H,8,9,10)
InChIKeyFJXUGMIWVZOBEO-UHFFFAOYSA-N
MW224.25 g/mol
LogP-0.56
Rot. Bonds3

About [4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine

[4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine (PubChem CID 80922093) has the molecular formula C6H8N8S and a molecular weight of 224.25 g/mol. Its IUPAC name is [4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine
PubChem CID80922093
Molecular FormulaC6H8N8S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC Name[4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine
SMILESCn1nnnc1Sc1ccnc(NN)n1
InChIInChI=1S/C6H8N8S/c1-14-6(11-12-13-14)15-4-2-3-8-5(9-4)10-7/h2-3H,7H2,1H3,(H,8,9,10)
InChIKeyFJXUGMIWVZOBEO-UHFFFAOYSA-N
XLogP-0.56
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

2-chloro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidine
CID 60726872
6-(1-methyltetrazol-5-yl)sulfanylpyridin-2-amine
CID 80653445
2-bromo-6-(1-methyltetrazol-5-yl)sulfanylpyridine
CID 63963042
[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)pyrimidin-2-yl]hydrazine
CID 80930452
[4-(4-tert-butylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80925519
[6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721387
2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile
CID 107551300
5-(2-hydrazinylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80931266
4-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80887590
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80869111
N-ethyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 104604948
2-fluoro-4-methyl-6-(1-methyltetrazol-5-yl)sulfanylpyrimidine
CID 164645832

Frequently Asked Questions

What is the IUPAC name of [4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine (CID 80922093) is [4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine is Cn1nnnc1Sc1ccnc(NN)n1.
What is the InChIKey of [4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine?
The InChIKey is FJXUGMIWVZOBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N8S/c1-14-6(11-12-13-14)15-4-2-3-8-5(9-4)10-7/h2-3H,7H2,1H3,(H,8,9,10).
What are the key properties of [4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine?
[4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine has a molecular weight of 224.25 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80922093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).