11-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;molecular hydrogen

C11H11N3 — CID 155583870

IUPAC11-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;molecular hydrogen
SMILESCc1ccc2c(n1)[nH]c1ccncc12.[H][H]
InChIInChI=1S/C11H9N3.H2/c1-7-2-3-8-9-6-12-5-4-10(9)14-11(8)13-7;/h2-6H,1H3,(H,13,14);1H
InChIKeyDZEVBHIPRIJENS-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.67
Rot. Bonds

About 11-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;molecular hydrogen

11-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;molecular hydrogen (PubChem CID 155583870) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 11-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;molecular hydrogen.

Molecular Properties

Compound Name11-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;molecular hydrogen
PubChem CID155583870
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name11-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;molecular hydrogen
SMILESCc1ccc2c(n1)[nH]c1ccncc12.[H][H]
InChIInChI=1S/C11H9N3.H2/c1-7-2-3-8-9-6-12-5-4-10(9)14-11(8)13-7;/h2-6H,1H3,(H,13,14);1H
InChIKeyDZEVBHIPRIJENS-UHFFFAOYSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 177447958
5-(9H-pyrido[2,3-b]indol-2-yl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 130353312
11-(2,5-di(19F)fluoro-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 159892122
11-(5-fluoro-6-methoxy-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 122446284
N-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide
CID 122446276
ethane;5H-pyrido[4,3-b]indole
CID 176987523
11-[4-(2,3-difluoropropoxy)piperidin-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 140910573
11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 122446298
5-N-(2-fluoroethyl)-2-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2,5-diamine
CID 118262798
11-(3-fluoro-4-isocyanophenyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155792277
N-methyl-1-(5H-pyrido[4,3-b]indol-7-yl)methanamine
CID 116986026
11-methyl-6H-indolo[2,3-b][1,6]naphthyridine
CID 10776002

Frequently Asked Questions

What is the IUPAC name of 11-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;molecular hydrogen?
The IUPAC name of 11-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;molecular hydrogen (CID 155583870) is 11-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;molecular hydrogen.
What is the SMILES notation for 11-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;molecular hydrogen?
The canonical SMILES for 11-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;molecular hydrogen is Cc1ccc2c(n1)[nH]c1ccncc12.[H][H].
What is the InChIKey of 11-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;molecular hydrogen?
The InChIKey is DZEVBHIPRIJENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3.H2/c1-7-2-3-8-9-6-12-5-4-10(9)14-11(8)13-7;/h2-6H,1H3,(H,13,14);1H.
What are the key properties of 11-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;molecular hydrogen?
11-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;molecular hydrogen has a molecular weight of 185.23 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;molecular hydrogen is sourced from PubChem (CID 155583870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).