N-methyl-1-(3-propyltriazol-4-yl)-1-quinolin-2-ylmethanamine

C16H19N5 — CID 114687701

IUPACN-methyl-1-(3-propyltriazol-4-yl)-1-quinolin-2-ylmethanamine
SMILESCCCn1nncc1C(NC)c1ccc2ccccc2n1
InChIInChI=1S/C16H19N5/c1-3-10-21-15(11-18-20-21)16(17-2)14-9-8-12-6-4-5-7-13(12)19-14/h4-9,11,16-17H,3,10H2,1-2H3
InChIKeyGWXZZHCXXCYSBU-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.55
Rot. Bonds5

About N-methyl-1-(3-propyltriazol-4-yl)-1-quinolin-2-ylmethanamine

N-methyl-1-(3-propyltriazol-4-yl)-1-quinolin-2-ylmethanamine (PubChem CID 114687701) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-methyl-1-(3-propyltriazol-4-yl)-1-quinolin-2-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-propyltriazol-4-yl)-1-quinolin-2-ylmethanamine
PubChem CID114687701
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-methyl-1-(3-propyltriazol-4-yl)-1-quinolin-2-ylmethanamine
SMILESCCCn1nncc1C(NC)c1ccc2ccccc2n1
InChIInChI=1S/C16H19N5/c1-3-10-21-15(11-18-20-21)16(17-2)14-9-8-12-6-4-5-7-13(12)19-14/h4-9,11,16-17H,3,10H2,1-2H3
InChIKeyGWXZZHCXXCYSBU-UHFFFAOYSA-N
XLogP2.55
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3-ethyltriazol-4-yl)-quinolin-2-ylmethyl]hydrazine
CID 114213634
N-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine
CID 114687541
1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688524
1-(4-methoxyphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114686853
N-methyl-1-(3-propyltriazol-4-yl)-1-(2,3,4-trifluorophenyl)methanamine
CID 105038832
1-(1-benzofuran-3-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688965
1-[2-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038764
N-methyl-1-(1-methylindazol-3-yl)-1-(3-propyltriazol-4-yl)methanamine
CID 103128167
N-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687718
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038680
1-(3-bromophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114687111
N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propyltriazol-4-yl)methanamine
CID 114687409

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propyltriazol-4-yl)-1-quinolin-2-ylmethanamine?
The IUPAC name of N-methyl-1-(3-propyltriazol-4-yl)-1-quinolin-2-ylmethanamine (CID 114687701) is N-methyl-1-(3-propyltriazol-4-yl)-1-quinolin-2-ylmethanamine.
What is the SMILES notation for N-methyl-1-(3-propyltriazol-4-yl)-1-quinolin-2-ylmethanamine?
The canonical SMILES for N-methyl-1-(3-propyltriazol-4-yl)-1-quinolin-2-ylmethanamine is CCCn1nncc1C(NC)c1ccc2ccccc2n1.
What is the InChIKey of N-methyl-1-(3-propyltriazol-4-yl)-1-quinolin-2-ylmethanamine?
The InChIKey is GWXZZHCXXCYSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-3-10-21-15(11-18-20-21)16(17-2)14-9-8-12-6-4-5-7-13(12)19-14/h4-9,11,16-17H,3,10H2,1-2H3.
What are the key properties of N-methyl-1-(3-propyltriazol-4-yl)-1-quinolin-2-ylmethanamine?
N-methyl-1-(3-propyltriazol-4-yl)-1-quinolin-2-ylmethanamine has a molecular weight of 281.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-propyltriazol-4-yl)-1-quinolin-2-ylmethanamine is sourced from PubChem (CID 114687701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).