2,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine

C15H17N5 — CID 133452088

IUPAC2,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine
SMILESCc1nc2ccccc2c(NCc2ncn(C)n2)c1C
InChIInChI=1S/C15H17N5/c1-10-11(2)18-13-7-5-4-6-12(13)15(10)16-8-14-17-9-20(3)19-14/h4-7,9H,8H2,1-3H3,(H,16,18)
InChIKeyZTLOFOVGXYBIEJ-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.59
Rot. Bonds3

About 2,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine

2,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine (PubChem CID 133452088) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine
PubChem CID133452088
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name2,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine
SMILESCc1nc2ccccc2c(NCc2ncn(C)n2)c1C
InChIInChI=1S/C15H17N5/c1-10-11(2)18-13-7-5-4-6-12(13)15(10)16-8-14-17-9-20(3)19-14/h4-7,9H,8H2,1-3H3,(H,16,18)
InChIKeyZTLOFOVGXYBIEJ-UHFFFAOYSA-N
XLogP2.59
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine?
The IUPAC name of 2,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine (CID 133452088) is 2,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine.
What is the SMILES notation for 2,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine?
The canonical SMILES for 2,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine is Cc1nc2ccccc2c(NCc2ncn(C)n2)c1C.
What is the InChIKey of 2,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine?
The InChIKey is ZTLOFOVGXYBIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-10-11(2)18-13-7-5-4-6-12(13)15(10)16-8-14-17-9-20(3)19-14/h4-7,9H,8H2,1-3H3,(H,16,18).
What are the key properties of 2,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine?
2,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine has a molecular weight of 267.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine is sourced from PubChem (CID 133452088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).