10-methyl-12-(1-methyltetrazol-5-yl)sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene

C12H12N6S2 — CID 2371784

IUPAC10-methyl-12-(1-methyltetrazol-5-yl)sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene
SMILESCc1nc(Sc2nnnn2C)c2c3c(sc2n1)CCC3
InChIInChI=1S/C12H12N6S2/c1-6-13-10-9(7-4-3-5-8(7)19-10)11(14-6)20-12-15-16-17-18(12)2/h3-5H2,1-2H3
InChIKeyDVVFBWOFBXMYAZ-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.16
Rot. Bonds2

About 10-methyl-12-(1-methyltetrazol-5-yl)sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene

10-methyl-12-(1-methyltetrazol-5-yl)sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene (PubChem CID 2371784) has the molecular formula C12H12N6S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 10-methyl-12-(1-methyltetrazol-5-yl)sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene.

Molecular Properties

Compound Name10-methyl-12-(1-methyltetrazol-5-yl)sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene
PubChem CID2371784
Molecular FormulaC12H12N6S2
Molecular Weight304.40 g/mol
Exact Mass304.06
IUPAC Name10-methyl-12-(1-methyltetrazol-5-yl)sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene
SMILESCc1nc(Sc2nnnn2C)c2c3c(sc2n1)CCC3
InChIInChI=1S/C12H12N6S2/c1-6-13-10-9(7-4-3-5-8(7)19-10)11(14-6)20-12-15-16-17-18(12)2/h3-5H2,1-2H3
InChIKeyDVVFBWOFBXMYAZ-UHFFFAOYSA-N
XLogP2.16
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 10-methyl-12-(1-methyltetrazol-5-yl)sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-12-(1-methyltetrazol-5-yl)sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene?
The IUPAC name of 10-methyl-12-(1-methyltetrazol-5-yl)sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene (CID 2371784) is 10-methyl-12-(1-methyltetrazol-5-yl)sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene.
What is the SMILES notation for 10-methyl-12-(1-methyltetrazol-5-yl)sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene?
The canonical SMILES for 10-methyl-12-(1-methyltetrazol-5-yl)sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene is Cc1nc(Sc2nnnn2C)c2c3c(sc2n1)CCC3.
What is the InChIKey of 10-methyl-12-(1-methyltetrazol-5-yl)sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene?
The InChIKey is DVVFBWOFBXMYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6S2/c1-6-13-10-9(7-4-3-5-8(7)19-10)11(14-6)20-12-15-16-17-18(12)2/h3-5H2,1-2H3.
What are the key properties of 10-methyl-12-(1-methyltetrazol-5-yl)sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene?
10-methyl-12-(1-methyltetrazol-5-yl)sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene has a molecular weight of 304.40 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-12-(1-methyltetrazol-5-yl)sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene is sourced from PubChem (CID 2371784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).