(12R)-14-methyl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene

C14H15N3 — CID 58942373

IUPAC(12R)-14-methyl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
SMILESCN1CC2C[C@@H](C1)c1cc3nccnc3cc12
InChIInChI=1S/C14H15N3/c1-17-7-9-4-10(8-17)12-6-14-13(5-11(9)12)15-2-3-16-14/h2-3,5-6,9-10H,4,7-8H2,1H3/t9-,10?/m0/s1
InChIKeyNJHXRPHFYMFVFC-RGURZIINSA-N
MW225.30 g/mol
LogP2.15
Rot. Bonds

About (12R)-14-methyl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene

(12R)-14-methyl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene (PubChem CID 58942373) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is (12R)-14-methyl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene.

Molecular Properties

Compound Name(12R)-14-methyl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
PubChem CID58942373
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name(12R)-14-methyl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
SMILESCN1CC2C[C@@H](C1)c1cc3nccnc3cc12
InChIInChI=1S/C14H15N3/c1-17-7-9-4-10(8-17)12-6-14-13(5-11(9)12)15-2-3-16-14/h2-3,5-6,9-10H,4,7-8H2,1H3/t9-,10?/m0/s1
InChIKeyNJHXRPHFYMFVFC-RGURZIINSA-N
XLogP2.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (12R)-14-methyl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene with MolForge

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Related Compounds

(1S,12S)-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
CID 11608185
2-methyl-6-(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-14-yl)oxane-3,5-diol
CID 170211419
5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene;hydrobromide
CID 75164726
oxalic acid;(1S,12S)-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
CID 46181479
1-methyl-5-(6-methyl-1H-benzimidazol-5-yl)piperidin-3-amine
CID 82385446
2,3-dihydroxybutanedioic acid;(1R,12S)-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
CID 53486179
1-methyl-5-pyridin-2-ylpiperidin-3-amine
CID 82403097
5-oxido-8,14-diaza-5-azoniatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
CID 154703516
1-methyl-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)piperidin-3-amine
CID 82385444
(1R,12S)-14-acetyl-5,8-diaza-14-azoniatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-13-one
CID 139594466
(1S,12R)-6,7-dideuterio-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
CID 164669962
6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoxaline
CID 68996107

Frequently Asked Questions

What is the IUPAC name of (12R)-14-methyl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene?
The IUPAC name of (12R)-14-methyl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene (CID 58942373) is (12R)-14-methyl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene.
What is the SMILES notation for (12R)-14-methyl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene?
The canonical SMILES for (12R)-14-methyl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene is CN1CC2C[C@@H](C1)c1cc3nccnc3cc12.
What is the InChIKey of (12R)-14-methyl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene?
The InChIKey is NJHXRPHFYMFVFC-RGURZIINSA-N. The full InChI is InChI=1S/C14H15N3/c1-17-7-9-4-10(8-17)12-6-14-13(5-11(9)12)15-2-3-16-14/h2-3,5-6,9-10H,4,7-8H2,1H3/t9-,10?/m0/s1.
What are the key properties of (12R)-14-methyl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene?
(12R)-14-methyl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene has a molecular weight of 225.30 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (12R)-14-methyl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene is sourced from PubChem (CID 58942373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).