(4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine

C10H13N7OS — CID 80924638

IUPAC(4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
SMILESCCCOc1nc(NN)nc(Sc2ncccn2)n1
InChIInChI=1S/C10H13N7OS/c1-2-6-18-8-14-7(17-11)15-10(16-8)19-9-12-4-3-5-13-9/h3-5H,2,6,11H2,1H3,(H,14,15,16,17)
InChIKeyQCDGHTBGQIVIFV-UHFFFAOYSA-N
MW279.33 g/mol
LogP0.89
Rot. Bonds6

About (4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine

(4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine (PubChem CID 80924638) has the molecular formula C10H13N7OS and a molecular weight of 279.33 g/mol. Its IUPAC name is (4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
PubChem CID80924638
Molecular FormulaC10H13N7OS
Molecular Weight279.33 g/mol
Exact Mass279.09
IUPAC Name(4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
SMILESCCCOc1nc(NN)nc(Sc2ncccn2)n1
InChIInChI=1S/C10H13N7OS/c1-2-6-18-8-14-7(17-11)15-10(16-8)19-9-12-4-3-5-13-9/h3-5H,2,6,11H2,1H3,(H,14,15,16,17)
InChIKeyQCDGHTBGQIVIFV-UHFFFAOYSA-N
XLogP0.89
TPSA111.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 50.89
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'}

Analyze (4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80887898
[4-(1-methylimidazol-2-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80922420
[4-propoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80931173
(4-tert-butylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80925478
[4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 107766293
(4-butan-2-ylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80923930
N-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80887454
[4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80910606
4-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80890630
[4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909820
N-(2-ethoxyethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80906653
N-methyl-4-(4-methylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80885091

Frequently Asked Questions

What is the IUPAC name of (4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
The IUPAC name of (4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine (CID 80924638) is (4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine.
What is the SMILES notation for (4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
The canonical SMILES for (4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine is CCCOc1nc(NN)nc(Sc2ncccn2)n1.
What is the InChIKey of (4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
The InChIKey is QCDGHTBGQIVIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7OS/c1-2-6-18-8-14-7(17-11)15-10(16-8)19-9-12-4-3-5-13-9/h3-5H,2,6,11H2,1H3,(H,14,15,16,17).
What are the key properties of (4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
(4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine has a molecular weight of 279.33 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine is sourced from PubChem (CID 80924638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).