N-methyl-1-quinolin-7-yl-1-(2H-triazol-4-yl)methanamine

C13H13N5 — CID 81224032

IUPACN-methyl-1-quinolin-7-yl-1-(2H-triazol-4-yl)methanamine
SMILESCNC(c1ccc2cccnc2c1)c1cn[nH]n1
InChIInChI=1S/C13H13N5/c1-14-13(12-8-16-18-17-12)10-5-4-9-3-2-6-15-11(9)7-10/h2-8,13-14H,1H3,(H,16,17,18)
InChIKeyZQOBKDBDOSLHBU-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.66
Rot. Bonds3

About N-methyl-1-quinolin-7-yl-1-(2H-triazol-4-yl)methanamine

N-methyl-1-quinolin-7-yl-1-(2H-triazol-4-yl)methanamine (PubChem CID 81224032) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-methyl-1-quinolin-7-yl-1-(2H-triazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-quinolin-7-yl-1-(2H-triazol-4-yl)methanamine
PubChem CID81224032
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC NameN-methyl-1-quinolin-7-yl-1-(2H-triazol-4-yl)methanamine
SMILESCNC(c1ccc2cccnc2c1)c1cn[nH]n1
InChIInChI=1S/C13H13N5/c1-14-13(12-8-16-18-17-12)10-5-4-9-3-2-6-15-11(9)7-10/h2-8,13-14H,1H3,(H,16,17,18)
InChIKeyZQOBKDBDOSLHBU-UHFFFAOYSA-N
XLogP1.66
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(6-methyl-2-pyridinyl)-1-quinolin-7-ylmethanamine
CID 81231820
1-(3,5-difluorophenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81227611
N-methyl-1-(2-methyl-4-pyridinyl)-1-quinolin-7-ylmethanamine
CID 106755701
1-(3-iodophenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 105021623
1-(3-chloro-2-pyridinyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 103444253
N-methyl-1-quinolin-7-yl-1-(thiadiazol-5-yl)methanamine
CID 105172703
(1R)-N-methyl-1-(4-methylphenyl)-1-(2H-triazol-4-yl)methanamine
CID 90212492
1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81231599
2,2-difluoro-N-methyl-1-quinolin-7-ylethanamine
CID 103516964
N-methyl-1-(5-methylthiophen-2-yl)-1-quinolin-7-ylmethanamine
CID 105021478
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-7-ylmethanamine
CID 105021513
N-[pyrazin-2-yl(quinolin-7-yl)methyl]ethanamine
CID 81231514

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-quinolin-7-yl-1-(2H-triazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-quinolin-7-yl-1-(2H-triazol-4-yl)methanamine (CID 81224032) is N-methyl-1-quinolin-7-yl-1-(2H-triazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-quinolin-7-yl-1-(2H-triazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-quinolin-7-yl-1-(2H-triazol-4-yl)methanamine is CNC(c1ccc2cccnc2c1)c1cn[nH]n1.
What is the InChIKey of N-methyl-1-quinolin-7-yl-1-(2H-triazol-4-yl)methanamine?
The InChIKey is ZQOBKDBDOSLHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-14-13(12-8-16-18-17-12)10-5-4-9-3-2-6-15-11(9)7-10/h2-8,13-14H,1H3,(H,16,17,18).
What are the key properties of N-methyl-1-quinolin-7-yl-1-(2H-triazol-4-yl)methanamine?
N-methyl-1-quinolin-7-yl-1-(2H-triazol-4-yl)methanamine has a molecular weight of 239.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-quinolin-7-yl-1-(2H-triazol-4-yl)methanamine is sourced from PubChem (CID 81224032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).