(4-hydrazinyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine

C6H9N7S — CID 3043319

IUPAC(4-hydrazinyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine
SMILESNNC1=Nc2c(NN)ncnc2SC1
InChIInChI=1S/C6H9N7S/c7-12-3-1-14-6-4(11-3)5(13-8)9-2-10-6/h2H,1,7-8H2,(H,11,12)(H,9,10,13)
InChIKeyITIHUVNNDIFXTR-UHFFFAOYSA-N
MW211.25 g/mol
LogP-0.64
Rot. Bonds1

About (4-hydrazinyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine

(4-hydrazinyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine (PubChem CID 3043319) has the molecular formula C6H9N7S and a molecular weight of 211.25 g/mol. Its IUPAC name is (4-hydrazinyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine.

Molecular Properties

Compound Name(4-hydrazinyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine
PubChem CID3043319
Molecular FormulaC6H9N7S
Molecular Weight211.25 g/mol
Exact Mass211.06
IUPAC Name(4-hydrazinyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine
SMILESNNC1=Nc2c(NN)ncnc2SC1
InChIInChI=1S/C6H9N7S/c7-12-3-1-14-6-4(11-3)5(13-8)9-2-10-6/h2H,1,7-8H2,(H,11,12)(H,9,10,13)
InChIKeyITIHUVNNDIFXTR-UHFFFAOYSA-N
XLogP-0.64
TPSA114.24 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

7H-Pyrimido(4,5-b)(1,4)thiazine, 6-amino-4-(dimethylamino)-
CID 3043316
7H-Pyrimido(4,5-b)(1,4)thiazine, 6-amino-4-methylthio-
CID 216614
7H-Pyrimido(4,5-b)(1,4)thiazine, 4,6-diamino-
CID 3043314
7H-Pyrimido(4,5-b)(1,4)thiazine, 6-amino-4-methylamino-
CID 3043315
7H-Pyrimido(4,5-b)(1,4)thiazine, 6-hydrazino-4-methylthio-
CID 3043318
7H-Pyrimido(4,5-b)(1,4)thiazine, 2,4,6-triamino-
CID 3049965
6-(Methylsulfanyl)pyrimidine-4,5-diamine
CID 248028
5-(Methylsulfanyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
CID 266464
2-chloro-4-hydrazinyl-N-methyl-6-methylsulfanylpyrimidin-5-amine
CID 88737474
[5-amino-6-(methylamino)pyrimidin-4-yl] N-(methylamino)carbamodithioate
CID 88944026
(1,2-Dihydropyrimido[5,4-e][1,2,4]triazin-5-ylsulfanyl)acetonitrile
CID 272920
2-(5,6-Diaminopyrimidin-4-yl)sulfanylacetonitrile
CID 12197810

Frequently Asked Questions

What is the IUPAC name of (4-hydrazinyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine?
The IUPAC name of (4-hydrazinyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine (CID 3043319) is (4-hydrazinyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine.
What is the SMILES notation for (4-hydrazinyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine?
The canonical SMILES for (4-hydrazinyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine is NNC1=Nc2c(NN)ncnc2SC1.
What is the InChIKey of (4-hydrazinyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine?
The InChIKey is ITIHUVNNDIFXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N7S/c7-12-3-1-14-6-4(11-3)5(13-8)9-2-10-6/h2H,1,7-8H2,(H,11,12)(H,9,10,13).
What are the key properties of (4-hydrazinyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine?
(4-hydrazinyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine has a molecular weight of 211.25 g/mol, XLogP of -0.64, 1 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydrazinyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine is sourced from PubChem (CID 3043319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).