4-[(3-bromo-2-pyridinyl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine

C10H12BrN7S — CID 80929799

IUPAC4-[(3-bromo-2-pyridinyl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(NN)nc(Sc2ncccc2Br)n1
InChIInChI=1S/C10H12BrN7S/c1-18(2)9-14-8(17-12)15-10(16-9)19-7-6(11)4-3-5-13-7/h3-5H,12H2,1-2H3,(H,14,15,16,17)
InChIKeyHDMHHJGNZSORST-UHFFFAOYSA-N
MW342.23 g/mol
LogP1.53
Rot. Bonds4

About 4-[(3-bromo-2-pyridinyl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine

4-[(3-bromo-2-pyridinyl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 80929799) has the molecular formula C10H12BrN7S and a molecular weight of 342.23 g/mol. Its IUPAC name is 4-[(3-bromo-2-pyridinyl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(3-bromo-2-pyridinyl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID80929799
Molecular FormulaC10H12BrN7S
Molecular Weight342.23 g/mol
Exact Mass341.01
IUPAC Name4-[(3-bromo-2-pyridinyl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(NN)nc(Sc2ncccc2Br)n1
InChIInChI=1S/C10H12BrN7S/c1-18(2)9-14-8(17-12)15-10(16-9)19-7-6(11)4-3-5-13-7/h3-5H,12H2,1-2H3,(H,14,15,16,17)
InChIKeyHDMHHJGNZSORST-UHFFFAOYSA-N
XLogP1.53
TPSA92.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(3-bromo-2-pyridinyl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

[4-[(3-bromo-2-pyridinyl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80928634
6-[(3-bromo-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80887782
4-hydrazinyl-N,N-dimethyl-6-phenylsulfanyl-1,3,5-triazin-2-amine
CID 80925510
4-(2-fluorophenyl)sulfanyl-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80921868
4-hydrazinyl-6-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80931212
2-N-(2-bromophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80927563
4-(1H-benzimidazol-2-ylsulfanyl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80920631
4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80887907
4-[(2-bromophenyl)methoxy]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 82825396
4-hydrazinyl-N,N-dimethyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80923499
N,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine
CID 80925981
N,N-diethyl-4-hydrazinyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80925367

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-2-pyridinyl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(3-bromo-2-pyridinyl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine (CID 80929799) is 4-[(3-bromo-2-pyridinyl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(3-bromo-2-pyridinyl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(3-bromo-2-pyridinyl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(NN)nc(Sc2ncccc2Br)n1.
What is the InChIKey of 4-[(3-bromo-2-pyridinyl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is HDMHHJGNZSORST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN7S/c1-18(2)9-14-8(17-12)15-10(16-9)19-7-6(11)4-3-5-13-7/h3-5H,12H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-[(3-bromo-2-pyridinyl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
4-[(3-bromo-2-pyridinyl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 342.23 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-2-pyridinyl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80929799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).