(9S)-3,4-dimethyl-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

C17H20N4 — CID 121350754

IUPAC(9S)-3,4-dimethyl-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESCc1cc(-c2nc3c(c(C)c2C)N2CC[C@@H](C2)N3)ccn1
InChIInChI=1S/C17H20N4/c1-10-8-13(4-6-18-10)15-11(2)12(3)16-17(20-15)19-14-5-7-21(16)9-14/h4,6,8,14H,5,7,9H2,1-3H3,(H,19,20)/t14-/m0/s1
InChIKeySLQPWOVZSRZKBR-AWEZNQCLSA-N
MW280.38 g/mol
LogP3.07
Rot. Bonds1

About (9S)-3,4-dimethyl-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

(9S)-3,4-dimethyl-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (PubChem CID 121350754) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is (9S)-3,4-dimethyl-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.

Molecular Properties

Compound Name(9S)-3,4-dimethyl-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
PubChem CID121350754
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name(9S)-3,4-dimethyl-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESCc1cc(-c2nc3c(c(C)c2C)N2CC[C@@H](C2)N3)ccn1
InChIInChI=1S/C17H20N4/c1-10-8-13(4-6-18-10)15-11(2)12(3)16-17(20-15)19-14-5-7-21(16)9-14/h4,6,8,14H,5,7,9H2,1-3H3,(H,19,20)/t14-/m0/s1
InChIKeySLQPWOVZSRZKBR-AWEZNQCLSA-N
XLogP3.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (9S)-3,4-dimethyl-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene 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

CID 158574080
CID 158574080
4-ethyl-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 145083599
(9S)-5-chloro-3,4-dimethyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 121350736
4-bromo-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 121359591
CID 159681545
CID 159681545
(9S)-4-methyl-1,5,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 118124617
4-methyl-1-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 106752830
5-(3-chlorophenyl)-3-methoxy-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 123795983
4-fluoro-5-methyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene;methane
CID 145083963
(3S)-4,4,4-trifluoro-3-methyl-1-[(9S)-3-methyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-yl]butan-1-one
CID 158115218
2,3,5-trichloro-6-(2-methyl-4-pyridinyl)pyridine
CID 102752756
6-fluoropyrazin-2-amine;(9S)-N-(6-fluoropyrazin-2-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 162038898

Frequently Asked Questions

What is the IUPAC name of (9S)-3,4-dimethyl-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The IUPAC name of (9S)-3,4-dimethyl-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (CID 121350754) is (9S)-3,4-dimethyl-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.
What is the SMILES notation for (9S)-3,4-dimethyl-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The canonical SMILES for (9S)-3,4-dimethyl-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is Cc1cc(-c2nc3c(c(C)c2C)N2CC[C@@H](C2)N3)ccn1.
What is the InChIKey of (9S)-3,4-dimethyl-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The InChIKey is SLQPWOVZSRZKBR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N4/c1-10-8-13(4-6-18-10)15-11(2)12(3)16-17(20-15)19-14-5-7-21(16)9-14/h4,6,8,14H,5,7,9H2,1-3H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (9S)-3,4-dimethyl-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
(9S)-3,4-dimethyl-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene has a molecular weight of 280.38 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-3,4-dimethyl-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is sourced from PubChem (CID 121350754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).