6-[(3-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline

C13H16N4 — CID 114689972

IUPAC6-[(3-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCn1nncc1Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C13H16N4/c1-17-12(9-15-16-17)8-10-4-5-13-11(7-10)3-2-6-14-13/h4-5,7,9,14H,2-3,6,8H2,1H3
InChIKeyZLWOEHMAVHFSNW-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.76
Rot. Bonds2

About 6-[(3-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline

6-[(3-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 114689972) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 6-[(3-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[(3-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID114689972
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name6-[(3-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCn1nncc1Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C13H16N4/c1-17-12(9-15-16-17)8-10-4-5-13-11(7-10)3-2-6-14-13/h4-5,7,9,14H,2-3,6,8H2,1H3
InChIKeyZLWOEHMAVHFSNW-UHFFFAOYSA-N
XLogP1.76
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(3-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114689974
6-[(4-methoxy-1-methylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114662277
6-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline
CID 114662267
6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776130
6-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63967612
6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776065
6-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 82255709
6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254
1,2,3,4-tetrahydroquinolin-6-ylmethanesulfonamide
CID 131363132
6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline
CID 106778864
6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 28776156
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61151541

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[(3-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline (CID 114689972) is 6-[(3-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[(3-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[(3-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline is Cn1nncc1Cc1ccc2c(c1)CCCN2.
What is the InChIKey of 6-[(3-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is ZLWOEHMAVHFSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-17-12(9-15-16-17)8-10-4-5-13-11(7-10)3-2-6-14-13/h4-5,7,9,14H,2-3,6,8H2,1H3.
What are the key properties of 6-[(3-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline?
6-[(3-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 228.30 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 114689972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).