12-methyl-4-propan-2-yl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene

C14H19N3 — CID 113303196

IUPAC12-methyl-4-propan-2-yl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
SMILESCc1ccc2nc3c(n2c1)CN(C(C)C)CC3
InChIInChI=1S/C14H19N3/c1-10(2)16-7-6-12-13(9-16)17-8-11(3)4-5-14(17)15-12/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyFIMWCULVMGMXPZ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.41
Rot. Bonds1

About 12-methyl-4-propan-2-yl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene

12-methyl-4-propan-2-yl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene (PubChem CID 113303196) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 12-methyl-4-propan-2-yl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene.

Molecular Properties

Compound Name12-methyl-4-propan-2-yl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
PubChem CID113303196
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name12-methyl-4-propan-2-yl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
SMILESCc1ccc2nc3c(n2c1)CN(C(C)C)CC3
InChIInChI=1S/C14H19N3/c1-10(2)16-7-6-12-13(9-16)17-8-11(3)4-5-14(17)15-12/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyFIMWCULVMGMXPZ-UHFFFAOYSA-N
XLogP2.41
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 115403204
2-methyl-8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 115403771
8-tert-butyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 113303186
12-chloro-4-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 115403863
12-chloro-4-ethyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 115403880
azepan-1-yl-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone
CID 113200979
(4-methylpiperidin-1-yl)-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone
CID 113200908
1-(12-fluoro-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)ethanone
CID 114239261
2-methyl-N-(3-methylbutyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200971
2,6,7-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 115403791
N-(4-acetylphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201034
12-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene
CID 113315472

Frequently Asked Questions

What is the IUPAC name of 12-methyl-4-propan-2-yl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
The IUPAC name of 12-methyl-4-propan-2-yl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene (CID 113303196) is 12-methyl-4-propan-2-yl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene.
What is the SMILES notation for 12-methyl-4-propan-2-yl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
The canonical SMILES for 12-methyl-4-propan-2-yl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene is Cc1ccc2nc3c(n2c1)CN(C(C)C)CC3.
What is the InChIKey of 12-methyl-4-propan-2-yl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
The InChIKey is FIMWCULVMGMXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10(2)16-7-6-12-13(9-16)17-8-11(3)4-5-14(17)15-12/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of 12-methyl-4-propan-2-yl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
12-methyl-4-propan-2-yl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene has a molecular weight of 229.33 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-4-propan-2-yl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene is sourced from PubChem (CID 113303196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).