11-propan-2-yl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene

C13H13N3 — CID 169265895

IUPAC11-propan-2-yl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene
SMILESCC(C)c1ccn2c(c1)nc1cnccc12
InChIInChI=1S/C13H13N3/c1-9(2)10-4-6-16-12-3-5-14-8-11(12)15-13(16)7-10/h3-9H,1-2H3
InChIKeyFJMYUDWEZDOHFZ-UHFFFAOYSA-N
MW211.27 g/mol
LogP3.01
Rot. Bonds1

About 11-propan-2-yl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene

11-propan-2-yl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene (PubChem CID 169265895) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 11-propan-2-yl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene.

Molecular Properties

Compound Name11-propan-2-yl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene
PubChem CID169265895
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name11-propan-2-yl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene
SMILESCC(C)c1ccn2c(c1)nc1cnccc12
InChIInChI=1S/C13H13N3/c1-9(2)10-4-6-16-12-3-5-14-8-11(12)15-13(16)7-10/h3-9H,1-2H3
InChIKeyFJMYUDWEZDOHFZ-UHFFFAOYSA-N
XLogP3.01
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;11-propan-2-yl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene
CID 169265960
(1R)-1-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethanamine
CID 97005120
2-methyl-1-[4-(3-propan-2-ylphenoxy)phenyl]imidazo[4,5-c]pyridine
CID 21307192
1-[(4-propan-2-ylphenyl)methyl]imidazo[4,5-c]pyridin-2-amine
CID 79296071
2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)imidazo[4,5-c]pyridine
CID 79292511
4-[2-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline
CID 115339638
(1R)-2-methyl-1-(1-methylimidazo[4,5-c]pyridin-2-yl)propan-1-amine
CID 97005114
2-(chloromethyl)-1-(4-methylpentan-2-yl)imidazo[4,5-c]pyridine
CID 79292578
2-(2-methylpyrrolidin-3-yl)-1-propan-2-ylimidazo[4,5-c]pyridine
CID 79364008
2-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)butan-2-amine
CID 79798297
2-(1-chloroethyl)-1-piperidin-1-ylimidazo[4,5-c]pyridine
CID 83018634
2-(difluoromethyl)-7-propan-2-ylimidazo[1,2-a]pyridine
CID 58198801

Frequently Asked Questions

What is the IUPAC name of 11-propan-2-yl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene?
The IUPAC name of 11-propan-2-yl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene (CID 169265895) is 11-propan-2-yl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene.
What is the SMILES notation for 11-propan-2-yl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene?
The canonical SMILES for 11-propan-2-yl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene is CC(C)c1ccn2c(c1)nc1cnccc12.
What is the InChIKey of 11-propan-2-yl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene?
The InChIKey is FJMYUDWEZDOHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-9(2)10-4-6-16-12-3-5-14-8-11(12)15-13(16)7-10/h3-9H,1-2H3.
What are the key properties of 11-propan-2-yl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene?
11-propan-2-yl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene has a molecular weight of 211.27 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-propan-2-yl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene is sourced from PubChem (CID 169265895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).