1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline

C15H18N4 — CID 62720718

IUPAC1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCn1nc(C2CC2)nc1C1NCCc2ccccc21
InChIInChI=1S/C15H18N4/c1-19-15(17-14(18-19)11-6-7-11)13-12-5-3-2-4-10(12)8-9-16-13/h2-5,11,13,16H,6-9H2,1H3
InChIKeyJQNDTUDPDHVPJZ-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.93
Rot. Bonds2

About 1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline

1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 62720718) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID62720718
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCn1nc(C2CC2)nc1C1NCCc2ccccc21
InChIInChI=1S/C15H18N4/c1-19-15(17-14(18-19)11-6-7-11)13-12-5-3-2-4-10(12)8-9-16-13/h2-5,11,13,16H,6-9H2,1H3
InChIKeyJQNDTUDPDHVPJZ-UHFFFAOYSA-N
XLogP1.93
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline (CID 62720718) is 1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline is Cn1nc(C2CC2)nc1C1NCCc2ccccc21.
What is the InChIKey of 1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is JQNDTUDPDHVPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-19-15(17-14(18-19)11-6-7-11)13-12-5-3-2-4-10(12)8-9-16-13/h2-5,11,13,16H,6-9H2,1H3.
What are the key properties of 1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 254.34 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 62720718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).