4-(1H-indazol-6-yl)-1,2,3,4-tetrahydroisoquinoline

C16H15N3 — CID 68996719

IUPAC4-(1H-indazol-6-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CNCC2c1ccc2cn[nH]c2c1
InChIInChI=1S/C16H15N3/c1-2-4-14-12(3-1)8-17-10-15(14)11-5-6-13-9-18-19-16(13)7-11/h1-7,9,15,17H,8,10H2,(H,18,19)
InChIKeyQTWKHCIFFJHSPI-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.80
Rot. Bonds1

About 4-(1H-indazol-6-yl)-1,2,3,4-tetrahydroisoquinoline

4-(1H-indazol-6-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 68996719) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-(1H-indazol-6-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-(1H-indazol-6-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID68996719
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name4-(1H-indazol-6-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CNCC2c1ccc2cn[nH]c2c1
InChIInChI=1S/C16H15N3/c1-2-4-14-12(3-1)8-17-10-15(14)11-5-6-13-9-18-19-16(13)7-11/h1-7,9,15,17H,8,10H2,(H,18,19)
InChIKeyQTWKHCIFFJHSPI-UHFFFAOYSA-N
XLogP2.80
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-6-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-(1H-indazol-6-yl)-1,2,3,4-tetrahydroisoquinoline (CID 68996719) is 4-(1H-indazol-6-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-(1H-indazol-6-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-(1H-indazol-6-yl)-1,2,3,4-tetrahydroisoquinoline is c1ccc2c(c1)CNCC2c1ccc2cn[nH]c2c1.
What is the InChIKey of 4-(1H-indazol-6-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is QTWKHCIFFJHSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-2-4-14-12(3-1)8-17-10-15(14)11-5-6-13-9-18-19-16(13)7-11/h1-7,9,15,17H,8,10H2,(H,18,19).
What are the key properties of 4-(1H-indazol-6-yl)-1,2,3,4-tetrahydroisoquinoline?
4-(1H-indazol-6-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 249.32 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-6-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 68996719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).