(3R)-3-[2-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroisoquinoline

C19H20N4O — CID 56719826

IUPAC(3R)-3-[2-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccccc1-n1nc(C)nc1[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C19H20N4O/c1-13-21-19(16-11-14-7-3-4-8-15(14)12-20-16)23(22-13)17-9-5-6-10-18(17)24-2/h3-10,16,20H,11-12H2,1-2H3/t16-/m1/s1
InChIKeyAZAPHMLFONBVLQ-MRXNPFEDSA-N
MW320.40 g/mol
LogP2.97
Rot. Bonds3

About (3R)-3-[2-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroisoquinoline

(3R)-3-[2-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 56719826) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is (3R)-3-[2-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(3R)-3-[2-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID56719826
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name(3R)-3-[2-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccccc1-n1nc(C)nc1[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C19H20N4O/c1-13-21-19(16-11-14-7-3-4-8-15(14)12-20-16)23(22-13)17-9-5-6-10-18(17)24-2/h3-10,16,20H,11-12H2,1-2H3/t16-/m1/s1
InChIKeyAZAPHMLFONBVLQ-MRXNPFEDSA-N
XLogP2.97
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[2-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroisoquinoline with MolForge

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Launch Full Analysis

Related Compounds

1-(2-methoxyphenyl)-3-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole
CID 50973008
3-(1,7-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 81456452
3-(1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 43325770
3-(2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 62695291
(3S)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 104896066
3-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 62695078
(3R)-3-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 104915604
(3S)-3-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
CID 97131003
3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 62376725
(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 104896049
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 62336192
4-[[2-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]methylsulfanyl]pyridine
CID 50959715

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (3R)-3-[2-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroisoquinoline (CID 56719826) is (3R)-3-[2-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (3R)-3-[2-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (3R)-3-[2-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroisoquinoline is COc1ccccc1-n1nc(C)nc1[C@H]1Cc2ccccc2CN1.
What is the InChIKey of (3R)-3-[2-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is AZAPHMLFONBVLQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-21-19(16-11-14-7-3-4-8-15(14)12-20-16)23(22-13)17-9-5-6-10-18(17)24-2/h3-10,16,20H,11-12H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-3-[2-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroisoquinoline?
(3R)-3-[2-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 320.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 56719826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).