N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)-1-phenylmethanamine;hydrochloride

C18H19ClN4 — CID 163340674

IUPACN-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)-1-phenylmethanamine;hydrochloride
SMILESCl.c1ccc(CNCc2nnc3n2-c2ccccc2CC3)cc1
InChIInChI=1S/C18H18N4.ClH/c1-2-6-14(7-3-1)12-19-13-18-21-20-17-11-10-15-8-4-5-9-16(15)22(17)18;/h1-9,19H,10-13H2;1H
InChIKeyZVEZTGVTNLOTJA-UHFFFAOYSA-N
MW326.83 g/mol
LogP3.08
Rot. Bonds4

About N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)-1-phenylmethanamine;hydrochloride

N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)-1-phenylmethanamine;hydrochloride (PubChem CID 163340674) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)-1-phenylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)-1-phenylmethanamine;hydrochloride
PubChem CID163340674
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC NameN-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)-1-phenylmethanamine;hydrochloride
SMILESCl.c1ccc(CNCc2nnc3n2-c2ccccc2CC3)cc1
InChIInChI=1S/C18H18N4.ClH/c1-2-6-14(7-3-1)12-19-13-18-21-20-17-11-10-15-8-4-5-9-16(15)22(17)18;/h1-9,19H,10-13H2;1H
InChIKeyZVEZTGVTNLOTJA-UHFFFAOYSA-N
XLogP3.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)-1-phenylmethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,6-dihydro-[1,2,4]triazolo[4,3-a][4,1]benzoxazepin-1-ylmethyl)-1-phenylmethanamine
CID 138380474
N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)cyclohexanecarboxamide
CID 25336822
1-phenyl-N-(5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]thiazepin-3-ylmethyl)methanamine;hydrochloride
CID 154919057
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
(5R)-3-[(benzylamino)methyl]-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one;hydrochloride
CID 171317301
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylethanamine
CID 54806649
N-benzyl-1-(cyclobuten-1-yl)methanamine
CID 57315844
N-benzyl-1-phenylmethanamine;dichlorotitanium
CID 174633271
N-[(1-cyclopropylimidazol-2-yl)methyl]-1-phenylmethanamine
CID 165476027
(5S)-3-[(benzylamino)methyl]-7-ethyl-5-(2-methylpropyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 164692702

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)-1-phenylmethanamine;hydrochloride?
The IUPAC name of N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)-1-phenylmethanamine;hydrochloride (CID 163340674) is N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)-1-phenylmethanamine;hydrochloride.
What is the SMILES notation for N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)-1-phenylmethanamine;hydrochloride?
The canonical SMILES for N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)-1-phenylmethanamine;hydrochloride is Cl.c1ccc(CNCc2nnc3n2-c2ccccc2CC3)cc1.
What is the InChIKey of N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)-1-phenylmethanamine;hydrochloride?
The InChIKey is ZVEZTGVTNLOTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4.ClH/c1-2-6-14(7-3-1)12-19-13-18-21-20-17-11-10-15-8-4-5-9-16(15)22(17)18;/h1-9,19H,10-13H2;1H.
What are the key properties of N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)-1-phenylmethanamine;hydrochloride?
N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)-1-phenylmethanamine;hydrochloride has a molecular weight of 326.83 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)-1-phenylmethanamine;hydrochloride is sourced from PubChem (CID 163340674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).