10-chloro-3-thia-4,7,9,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaene

C7H3ClN4S — CID 170973109

IUPAC10-chloro-3-thia-4,7,9,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaene
SMILESClc1ncc2c(n1)[nH]c1cnsc12
InChIInChI=1S/C7H3ClN4S/c8-7-9-1-3-5-4(2-10-13-5)11-6(3)12-7/h1-2H,(H,9,11,12)
InChIKeyIBNOHPBTZJGGAQ-UHFFFAOYSA-N
MW210.65 g/mol
LogP2.22
Rot. Bonds

About 10-chloro-3-thia-4,7,9,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaene

10-chloro-3-thia-4,7,9,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaene (PubChem CID 170973109) has the molecular formula C7H3ClN4S and a molecular weight of 210.65 g/mol. Its IUPAC name is 10-chloro-3-thia-4,7,9,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaene.

Molecular Properties

Compound Name10-chloro-3-thia-4,7,9,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaene
PubChem CID170973109
Molecular FormulaC7H3ClN4S
Molecular Weight210.65 g/mol
Exact Mass209.98
IUPAC Name10-chloro-3-thia-4,7,9,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaene
SMILESClc1ncc2c(n1)[nH]c1cnsc12
InChIInChI=1S/C7H3ClN4S/c8-7-9-1-3-5-4(2-10-13-5)11-6(3)12-7/h1-2H,(H,9,11,12)
InChIKeyIBNOHPBTZJGGAQ-UHFFFAOYSA-N
XLogP2.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.65
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 10-chloro-3-thia-4,7,9,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaene with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-7-fluoro-9H-pyrimido[4,5-b]indole
CID 170973177
5-chloro-1H-pyrazolo[4,3-d]pyrimidine;ethane
CID 164538697
2-chloro-7-methyl-9H-purin-8-one
CID 88548661
5-chloro-[1,2]thiazolo[5,4-b]pyridine
CID 156783018
(2,5-dichloropyrimidin-4-yl)oxidanium
CID 144945544
11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 122446291
2,5-dichloro-N-cyclopentylpyrimidin-4-amine
CID 79633393
2-chloro-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
CID 72698299
ethyl 2-chloro-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 54316935
10-chloro-7-(oxan-4-yl)-5-thia-4,7,9,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),3,8,10-pentaene
CID 156894891
N-(2,5-dichloropyrimidin-4-yl)-3-azaspiro[5.5]undecan-9-amine
CID 126665328
2-chloro-9-(4-isocyano-1-bicyclo[2.2.2]octanyl)-7H-purin-8-one
CID 168776555

Frequently Asked Questions

What is the IUPAC name of 10-chloro-3-thia-4,7,9,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaene?
The IUPAC name of 10-chloro-3-thia-4,7,9,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaene (CID 170973109) is 10-chloro-3-thia-4,7,9,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaene.
What is the SMILES notation for 10-chloro-3-thia-4,7,9,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaene?
The canonical SMILES for 10-chloro-3-thia-4,7,9,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaene is Clc1ncc2c(n1)[nH]c1cnsc12.
What is the InChIKey of 10-chloro-3-thia-4,7,9,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaene?
The InChIKey is IBNOHPBTZJGGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN4S/c8-7-9-1-3-5-4(2-10-13-5)11-6(3)12-7/h1-2H,(H,9,11,12).
What are the key properties of 10-chloro-3-thia-4,7,9,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaene?
10-chloro-3-thia-4,7,9,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaene has a molecular weight of 210.65 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-3-thia-4,7,9,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaene is sourced from PubChem (CID 170973109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).