5-methyl-4-thia-1,6,9-triazatricyclo[7.4.0.03,7]trideca-3(7),5-diene

C10H15N3S — CID 142198056

IUPAC5-methyl-4-thia-1,6,9-triazatricyclo[7.4.0.03,7]trideca-3(7),5-diene
SMILESCc1nc2c(s1)CN1CCCCN1C2
InChIInChI=1S/C10H15N3S/c1-8-11-9-6-12-4-2-3-5-13(12)7-10(9)14-8/h2-7H2,1H3
InChIKeyJBVMOVNCHJZPFR-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.78
Rot. Bonds

About 5-methyl-4-thia-1,6,9-triazatricyclo[7.4.0.03,7]trideca-3(7),5-diene

5-methyl-4-thia-1,6,9-triazatricyclo[7.4.0.03,7]trideca-3(7),5-diene (PubChem CID 142198056) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 5-methyl-4-thia-1,6,9-triazatricyclo[7.4.0.03,7]trideca-3(7),5-diene.

Molecular Properties

Compound Name5-methyl-4-thia-1,6,9-triazatricyclo[7.4.0.03,7]trideca-3(7),5-diene
PubChem CID142198056
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name5-methyl-4-thia-1,6,9-triazatricyclo[7.4.0.03,7]trideca-3(7),5-diene
SMILESCc1nc2c(s1)CN1CCCCN1C2
InChIInChI=1S/C10H15N3S/c1-8-11-9-6-12-4-2-3-5-13(12)7-10(9)14-8/h2-7H2,1H3
InChIKeyJBVMOVNCHJZPFR-UHFFFAOYSA-N
XLogP1.78
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone
CID 123694071
lithium 4-thia-1,6,9-triazatricyclo[7.3.0.03,7]dodeca-3(7),5-diene-5-carboxylate
CID 23688406
(2-methyl-4,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepin-5-yl)methanimine
CID 21139052
5-(2,2-dimethylpropyl)-2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 118375132
2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)acetic acid
CID 139573560
2,4-dimethyl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]azepine
CID 21139008
1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)prop-2-en-1-one
CID 169135165
2-methyl-5-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 139573563
N-methyl-2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)acetamide
CID 139573239
2-methyl-5,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-6-one
CID 130250914
5-ethyl-2-[(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methylsulfanyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 123501713
4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 154788298

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-thia-1,6,9-triazatricyclo[7.4.0.03,7]trideca-3(7),5-diene?
The IUPAC name of 5-methyl-4-thia-1,6,9-triazatricyclo[7.4.0.03,7]trideca-3(7),5-diene (CID 142198056) is 5-methyl-4-thia-1,6,9-triazatricyclo[7.4.0.03,7]trideca-3(7),5-diene.
What is the SMILES notation for 5-methyl-4-thia-1,6,9-triazatricyclo[7.4.0.03,7]trideca-3(7),5-diene?
The canonical SMILES for 5-methyl-4-thia-1,6,9-triazatricyclo[7.4.0.03,7]trideca-3(7),5-diene is Cc1nc2c(s1)CN1CCCCN1C2.
What is the InChIKey of 5-methyl-4-thia-1,6,9-triazatricyclo[7.4.0.03,7]trideca-3(7),5-diene?
The InChIKey is JBVMOVNCHJZPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-8-11-9-6-12-4-2-3-5-13(12)7-10(9)14-8/h2-7H2,1H3.
What are the key properties of 5-methyl-4-thia-1,6,9-triazatricyclo[7.4.0.03,7]trideca-3(7),5-diene?
5-methyl-4-thia-1,6,9-triazatricyclo[7.4.0.03,7]trideca-3(7),5-diene has a molecular weight of 209.32 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-thia-1,6,9-triazatricyclo[7.4.0.03,7]trideca-3(7),5-diene is sourced from PubChem (CID 142198056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).