1,7-dimethyl-N-methylsulfanylindazol-3-amine

C10H13N3S — CID 135266955

IUPAC1,7-dimethyl-N-methylsulfanylindazol-3-amine
SMILESCSNc1nn(C)c2c(C)cccc12
InChIInChI=1S/C10H13N3S/c1-7-5-4-6-8-9(7)13(2)11-10(8)12-14-3/h4-6H,1-3H3,(H,11,12)
InChIKeyXYINUJKYCMBCPA-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.57
Rot. Bonds2

About 1,7-dimethyl-N-methylsulfanylindazol-3-amine

1,7-dimethyl-N-methylsulfanylindazol-3-amine (PubChem CID 135266955) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 1,7-dimethyl-N-methylsulfanylindazol-3-amine.

Molecular Properties

Compound Name1,7-dimethyl-N-methylsulfanylindazol-3-amine
PubChem CID135266955
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name1,7-dimethyl-N-methylsulfanylindazol-3-amine
SMILESCSNc1nn(C)c2c(C)cccc12
InChIInChI=1S/C10H13N3S/c1-7-5-4-6-8-9(7)13(2)11-10(8)12-14-3/h4-6H,1-3H3,(H,11,12)
InChIKeyXYINUJKYCMBCPA-UHFFFAOYSA-N
XLogP2.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-N-methylsulfanylindazol-3-amine?
The IUPAC name of 1,7-dimethyl-N-methylsulfanylindazol-3-amine (CID 135266955) is 1,7-dimethyl-N-methylsulfanylindazol-3-amine.
What is the SMILES notation for 1,7-dimethyl-N-methylsulfanylindazol-3-amine?
The canonical SMILES for 1,7-dimethyl-N-methylsulfanylindazol-3-amine is CSNc1nn(C)c2c(C)cccc12.
What is the InChIKey of 1,7-dimethyl-N-methylsulfanylindazol-3-amine?
The InChIKey is XYINUJKYCMBCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-7-5-4-6-8-9(7)13(2)11-10(8)12-14-3/h4-6H,1-3H3,(H,11,12).
What are the key properties of 1,7-dimethyl-N-methylsulfanylindazol-3-amine?
1,7-dimethyl-N-methylsulfanylindazol-3-amine has a molecular weight of 207.30 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-N-methylsulfanylindazol-3-amine is sourced from PubChem (CID 135266955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).