10-chloro-4,8-dimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene

C10H10ClN5 — CID 164902869

IUPAC10-chloro-4,8-dimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene
SMILESCc1nc2n(n1)-c1ccnc(Cl)c1N(C)C2
InChIInChI=1S/C10H10ClN5/c1-6-13-8-5-15(2)9-7(16(8)14-6)3-4-12-10(9)11/h3-4H,5H2,1-2H3
InChIKeyGNYLQDUBUKUXSF-UHFFFAOYSA-N
MW235.68 g/mol
LogP1.57
Rot. Bonds

About 10-chloro-4,8-dimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene

10-chloro-4,8-dimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene (PubChem CID 164902869) has the molecular formula C10H10ClN5 and a molecular weight of 235.68 g/mol. Its IUPAC name is 10-chloro-4,8-dimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene.

Molecular Properties

Compound Name10-chloro-4,8-dimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene
PubChem CID164902869
Molecular FormulaC10H10ClN5
Molecular Weight235.68 g/mol
Exact Mass235.06
IUPAC Name10-chloro-4,8-dimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene
SMILESCc1nc2n(n1)-c1ccnc(Cl)c1N(C)C2
InChIInChI=1S/C10H10ClN5/c1-6-13-8-5-15(2)9-7(16(8)14-6)3-4-12-10(9)11/h3-4H,5H2,1-2H3
InChIKeyGNYLQDUBUKUXSF-UHFFFAOYSA-N
XLogP1.57
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.68
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 10-chloro-4,8-dimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-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

7-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline
CID 170960631
8-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline
CID 170960633
ethane;8-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline
CID 170960632
N-(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)-1,1-diphenylmethanimine
CID 164902941
N-(4,8-dimethyl-2,3,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-10-yl)cyclopropanecarboxamide
CID 164903013
10-chloro-4,8-dimethyl-2,3,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,7-diol
CID 164903118
5-chloro-1,2-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazine
CID 138108148
2-(5-chloro-3-methyl-1,2,4-triazol-1-yl)pyrimidine
CID 30032568
(7S)-10-chloro-4,7,8-trimethyl-2,4,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,10,12-tetraen-3-one
CID 170348157
2-methyl-4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzoxazepine
CID 11008969
[4-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine
CID 80900358
4-chloro-2-methyltriazolo[4,5-c]pyridine
CID 90481612

Frequently Asked Questions

What is the IUPAC name of 10-chloro-4,8-dimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene?
The IUPAC name of 10-chloro-4,8-dimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene (CID 164902869) is 10-chloro-4,8-dimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene.
What is the SMILES notation for 10-chloro-4,8-dimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene?
The canonical SMILES for 10-chloro-4,8-dimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene is Cc1nc2n(n1)-c1ccnc(Cl)c1N(C)C2.
What is the InChIKey of 10-chloro-4,8-dimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene?
The InChIKey is GNYLQDUBUKUXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5/c1-6-13-8-5-15(2)9-7(16(8)14-6)3-4-12-10(9)11/h3-4H,5H2,1-2H3.
What are the key properties of 10-chloro-4,8-dimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene?
10-chloro-4,8-dimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene has a molecular weight of 235.68 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-4,8-dimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene is sourced from PubChem (CID 164902869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).