N,N-dimethyl-3-(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)propan-1-amine

C17H21N5 — CID 46991106

IUPACN,N-dimethyl-3-(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCc1nc(CCCN(C)C)n(-c2cccc3cccnc23)n1
InChIInChI=1S/C17H21N5/c1-13-19-16(10-6-12-21(2)3)22(20-13)15-9-4-7-14-8-5-11-18-17(14)15/h4-5,7-9,11H,6,10,12H2,1-3H3
InChIKeyTXDXVZRENGWWIT-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.62
Rot. Bonds5

About N,N-dimethyl-3-(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)propan-1-amine

N,N-dimethyl-3-(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 46991106) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is N,N-dimethyl-3-(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID46991106
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC NameN,N-dimethyl-3-(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCc1nc(CCCN(C)C)n(-c2cccc3cccnc23)n1
InChIInChI=1S/C17H21N5/c1-13-19-16(10-6-12-21(2)3)22(20-13)15-9-4-7-14-8-5-11-18-17(14)15/h4-5,7-9,11H,6,10,12H2,1-3H3
InChIKeyTXDXVZRENGWWIT-UHFFFAOYSA-N
XLogP2.62
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-3-(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroisoindol-1-one
CID 46989276
8-(3-methyl-1,2,4-triazol-1-yl)quinoline
CID 166607439
8-[5-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-methylpropyl)-1,2,4-triazol-1-yl]quinoline
CID 50953775
5-methyl-1-quinolin-8-yltriazol-4-amine
CID 79502676
5-propyl-1-quinolin-8-yltriazol-4-amine
CID 79502823
5-propan-2-yl-1-quinolin-8-yltriazol-4-amine
CID 79502966
2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112913095
5-methyl-3-quinolin-8-yl-1H-imidazole-2-thione
CID 81335602
1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975956
3-(6-methoxyquinolin-7-yl)oxy-N,N-dimethylpropan-1-amine
CID 76540190
N,N-dimethyl-3-(3-methyl-2-pyrazol-1-ylphenyl)propan-1-amine
CID 170866716
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)propan-1-amine (CID 46991106) is N,N-dimethyl-3-(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)propan-1-amine is Cc1nc(CCCN(C)C)n(-c2cccc3cccnc23)n1.
What is the InChIKey of N,N-dimethyl-3-(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is TXDXVZRENGWWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-13-19-16(10-6-12-21(2)3)22(20-13)15-9-4-7-14-8-5-11-18-17(14)15/h4-5,7-9,11H,6,10,12H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)propan-1-amine?
N,N-dimethyl-3-(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 46991106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).