N,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine

C13H18N6S — CID 80925981

IUPACN,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(NN)nc(Sc2ccccc2)n1
InChIInChI=1S/C13H18N6S/c1-3-19(4-2)12-15-11(18-14)16-13(17-12)20-10-8-6-5-7-9-10/h5-9H,3-4,14H2,1-2H3,(H,15,16,17,18)
InChIKeyHZPKEKORECVBBV-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.15
Rot. Bonds6

About N,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine

N,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 80925981) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is N,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine
PubChem CID80925981
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC NameN,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(NN)nc(Sc2ccccc2)n1
InChIInChI=1S/C13H18N6S/c1-3-19(4-2)12-15-11(18-14)16-13(17-12)20-10-8-6-5-7-9-10/h5-9H,3-4,14H2,1-2H3,(H,15,16,17,18)
InChIKeyHZPKEKORECVBBV-UHFFFAOYSA-N
XLogP2.15
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
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

4-hydrazinyl-N,N-dimethyl-6-phenylsulfanyl-1,3,5-triazin-2-amine
CID 80925510
N,N-diethyl-4-hydrazinyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80925367
2-N,2-N,4-N-triethyl-6-pyridin-4-ylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80888456
N,N-diethyl-4-hydrazinyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80931247
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80930075
2-N,2-N-diethyl-4-N-methyl-6-pyridin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80882962
N,N-dihexyl-4,6-bis(phenylsulfanyl)-1,3,5-triazin-2-amine
CID 635465
(4-phenylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80923978
4-hydrazinyl-6-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80931212
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 114235285
N,N-diethyl-4-hydrazinyl-6-(2-iodophenoxy)-1,3,5-triazin-2-amine
CID 80913258
4-(2-fluorophenyl)sulfanyl-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80921868

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of N,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine (CID 80925981) is N,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine is CCN(CC)c1nc(NN)nc(Sc2ccccc2)n1.
What is the InChIKey of N,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is HZPKEKORECVBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S/c1-3-19(4-2)12-15-11(18-14)16-13(17-12)20-10-8-6-5-7-9-10/h5-9H,3-4,14H2,1-2H3,(H,15,16,17,18).
What are the key properties of N,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine?
N,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 290.40 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80925981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).