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

C15H20N4 — CID 104915604

IUPAC(3R)-3-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1nnc([C@H]2Cc3ccccc3CN2)n1C(C)C
InChIInChI=1S/C15H20N4/c1-10(2)19-11(3)17-18-15(19)14-8-12-6-4-5-7-13(12)9-16-14/h4-7,10,14,16H,8-9H2,1-3H3/t14-/m1/s1
InChIKeyZKXARHVVWLQPSM-CQSZACIVSA-N
MW256.35 g/mol
LogP2.55
Rot. Bonds2

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

(3R)-3-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 104915604) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is (3R)-3-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(3R)-3-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID104915604
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name(3R)-3-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1nnc([C@H]2Cc3ccccc3CN2)n1C(C)C
InChIInChI=1S/C15H20N4/c1-10(2)19-11(3)17-18-15(19)14-8-12-6-4-5-7-13(12)9-16-14/h4-7,10,14,16H,8-9H2,1-3H3/t14-/m1/s1
InChIKeyZKXARHVVWLQPSM-CQSZACIVSA-N
XLogP2.55
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 62695078
(3S)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 104896066
N,4-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-triazol-3-amine
CID 115945513
3-(2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 62695291
(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 104896049
3-(1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 43325770
3-(1,7-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 81456452
5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-benzothiazole
CID 43305030
(3R)-3-[2-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroisoquinoline
CID 56719826
3-(bromomethyl)-5-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-yl-1,2,4-triazole
CID 106894485
3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 62376725
N,N-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-1,2,4-triazol-3-amine
CID 114244272

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (3R)-3-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline (CID 104915604) is (3R)-3-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (3R)-3-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (3R)-3-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline is Cc1nnc([C@H]2Cc3ccccc3CN2)n1C(C)C.
What is the InChIKey of (3R)-3-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ZKXARHVVWLQPSM-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20N4/c1-10(2)19-11(3)17-18-15(19)14-8-12-6-4-5-7-13(12)9-16-14/h4-7,10,14,16H,8-9H2,1-3H3/t14-/m1/s1.
What are the key properties of (3R)-3-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
(3R)-3-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 256.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 104915604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).