2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinolin-4-amine

C14H15N5 — CID 64530668

IUPAC2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinolin-4-amine
SMILESCc1cc(NCCc2ncn[nH]2)c2ccccc2n1
InChIInChI=1S/C14H15N5/c1-10-8-13(11-4-2-3-5-12(11)18-10)15-7-6-14-16-9-17-19-14/h2-5,8-9H,6-7H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyJYALXVXEXMLMFW-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.32
Rot. Bonds4

About 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinolin-4-amine

2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinolin-4-amine (PubChem CID 64530668) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinolin-4-amine
PubChem CID64530668
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinolin-4-amine
SMILESCc1cc(NCCc2ncn[nH]2)c2ccccc2n1
InChIInChI=1S/C14H15N5/c1-10-8-13(11-4-2-3-5-12(11)18-10)15-7-6-14-16-9-17-19-14/h2-5,8-9H,6-7H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyJYALXVXEXMLMFW-UHFFFAOYSA-N
XLogP2.32
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline
CID 61360611
bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol
CID 61238902
N-(4-chlorobutyl)-2-methylquinolin-4-amine
CID 106845127
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664297
2,6-dimethyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile
CID 81052464
5-methoxy-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine
CID 106660544
2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine
CID 63535075
2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
CID 54934838
4-[(2-methylquinolin-4-yl)amino]butanoic acid
CID 43419953
2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide
CID 43552334

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinolin-4-amine?
The IUPAC name of 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinolin-4-amine (CID 64530668) is 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinolin-4-amine.
What is the SMILES notation for 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinolin-4-amine?
The canonical SMILES for 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinolin-4-amine is Cc1cc(NCCc2ncn[nH]2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinolin-4-amine?
The InChIKey is JYALXVXEXMLMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-10-8-13(11-4-2-3-5-12(11)18-10)15-7-6-14-16-9-17-19-14/h2-5,8-9H,6-7H2,1H3,(H,15,18)(H,16,17,19).
What are the key properties of 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinolin-4-amine?
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinolin-4-amine has a molecular weight of 253.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinolin-4-amine is sourced from PubChem (CID 64530668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).