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

C9H15N9S — CID 80929986

IUPAC4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCc1nnc(Sc2nc(NN)nc(N(C)C)n2)n1C
InChIInChI=1S/C9H15N9S/c1-5-15-16-9(18(5)4)19-8-12-6(14-10)11-7(13-8)17(2)3/h10H2,1-4H3,(H,11,12,13,14)
InChIKeyWWUDESDQWPRRSE-UHFFFAOYSA-N
MW281.35 g/mol
LogP-0.19
Rot. Bonds4

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

4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 80929986) has the molecular formula C9H15N9S and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID80929986
Molecular FormulaC9H15N9S
Molecular Weight281.35 g/mol
Exact Mass281.12
IUPAC Name4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCc1nnc(Sc2nc(NN)nc(N(C)C)n2)n1C
InChIInChI=1S/C9H15N9S/c1-5-15-16-9(18(5)4)19-8-12-6(14-10)11-7(13-8)17(2)3/h10H2,1-4H3,(H,11,12,13,14)
InChIKeyWWUDESDQWPRRSE-UHFFFAOYSA-N
XLogP-0.19
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine (CID 80929986) is 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine is Cc1nnc(Sc2nc(NN)nc(N(C)C)n2)n1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is WWUDESDQWPRRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N9S/c1-5-15-16-9(18(5)4)19-8-12-6(14-10)11-7(13-8)17(2)3/h10H2,1-4H3,(H,11,12,13,14).
What are the key properties of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 281.35 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80929986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).