3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b]isoquinoline

C13H15N3 — CID 58783665

IUPAC3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b]isoquinoline
SMILESCC(C)c1nnc2n1Cc1ccccc1C2
InChIInChI=1S/C13H15N3/c1-9(2)13-15-14-12-7-10-5-3-4-6-11(10)8-16(12)13/h3-6,9H,7-8H2,1-2H3
InChIKeyHGIVEOQQINWYOW-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.35
Rot. Bonds1

About 3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b]isoquinoline

3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b]isoquinoline (PubChem CID 58783665) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b]isoquinoline.

Molecular Properties

Compound Name3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b]isoquinoline
PubChem CID58783665
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b]isoquinoline
SMILESCC(C)c1nnc2n1Cc1ccccc1C2
InChIInChI=1S/C13H15N3/c1-9(2)13-15-14-12-7-10-5-3-4-6-11(10)8-16(12)13/h3-6,9H,7-8H2,1-2H3
InChIKeyHGIVEOQQINWYOW-UHFFFAOYSA-N
XLogP2.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b]isoquinoline?
The IUPAC name of 3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b]isoquinoline (CID 58783665) is 3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b]isoquinoline.
What is the SMILES notation for 3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b]isoquinoline?
The canonical SMILES for 3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b]isoquinoline is CC(C)c1nnc2n1Cc1ccccc1C2.
What is the InChIKey of 3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b]isoquinoline?
The InChIKey is HGIVEOQQINWYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-9(2)13-15-14-12-7-10-5-3-4-6-11(10)8-16(12)13/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b]isoquinoline?
3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b]isoquinoline has a molecular weight of 213.28 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b]isoquinoline is sourced from PubChem (CID 58783665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).