3,4-dimethylpyridin-2-amine;5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine

C16H20N6S — CID 87098213

IUPAC3,4-dimethylpyridin-2-amine;5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
SMILESCc1ccnc(N)c1C.Nc1nc2c(s1)CCCc1[nH]ncc1-2
InChIInChI=1S/C9H10N4S.C7H10N2/c10-9-12-8-5-4-11-13-6(5)2-1-3-7(8)14-9;1-5-3-4-9-7(8)6(5)2/h4H,1-3H2,(H2,10,12)(H,11,13);3-4H,1-2H3,(H2,8,9)
InChIKeyWZPHRNQIVPSVKH-UHFFFAOYSA-N
MW328.45 g/mol
LogP2.88
Rot. Bonds

About 3,4-dimethylpyridin-2-amine;5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine

3,4-dimethylpyridin-2-amine;5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine (PubChem CID 87098213) has the molecular formula C16H20N6S and a molecular weight of 328.45 g/mol. Its IUPAC name is 3,4-dimethylpyridin-2-amine;5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine.

Molecular Properties

Compound Name3,4-dimethylpyridin-2-amine;5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
PubChem CID87098213
Molecular FormulaC16H20N6S
Molecular Weight328.45 g/mol
Exact Mass328.15
IUPAC Name3,4-dimethylpyridin-2-amine;5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
SMILESCc1ccnc(N)c1C.Nc1nc2c(s1)CCCc1[nH]ncc1-2
InChIInChI=1S/C9H10N4S.C7H10N2/c10-9-12-8-5-4-11-13-6(5)2-1-3-7(8)14-9;1-5-3-4-9-7(8)6(5)2/h4H,1-3H2,(H2,10,12)(H,11,13);3-4H,1-2H3,(H2,8,9)
InChIKeyWZPHRNQIVPSVKH-UHFFFAOYSA-N
XLogP2.88
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3,4-dimethylpyridin-2-amine;5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpyridin-2-amine;5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine?
The IUPAC name of 3,4-dimethylpyridin-2-amine;5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine (CID 87098213) is 3,4-dimethylpyridin-2-amine;5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine.
What is the SMILES notation for 3,4-dimethylpyridin-2-amine;5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine?
The canonical SMILES for 3,4-dimethylpyridin-2-amine;5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine is Cc1ccnc(N)c1C.Nc1nc2c(s1)CCCc1[nH]ncc1-2.
What is the InChIKey of 3,4-dimethylpyridin-2-amine;5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine?
The InChIKey is WZPHRNQIVPSVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S.C7H10N2/c10-9-12-8-5-4-11-13-6(5)2-1-3-7(8)14-9;1-5-3-4-9-7(8)6(5)2/h4H,1-3H2,(H2,10,12)(H,11,13);3-4H,1-2H3,(H2,8,9).
What are the key properties of 3,4-dimethylpyridin-2-amine;5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine?
3,4-dimethylpyridin-2-amine;5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine has a molecular weight of 328.45 g/mol, XLogP of 2.88, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpyridin-2-amine;5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine is sourced from PubChem (CID 87098213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).