N,N-dimethyl-1-[3-[1-[(5-methylpyrazin-2-yl)methyl]triazol-4-yl]phenyl]ethanamine

C18H22N6 — CID 72923116

IUPACN,N-dimethyl-1-[3-[1-[(5-methylpyrazin-2-yl)methyl]triazol-4-yl]phenyl]ethanamine
SMILESCc1cnc(Cn2cc(-c3cccc(C(C)N(C)C)c3)nn2)cn1
InChIInChI=1S/C18H22N6/c1-13-9-20-17(10-19-13)11-24-12-18(21-22-24)16-7-5-6-15(8-16)14(2)23(3)4/h5-10,12,14H,11H2,1-4H3
InChIKeyCMYRFSSJCVZKOJ-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.71
Rot. Bonds5

About N,N-dimethyl-1-[3-[1-[(5-methylpyrazin-2-yl)methyl]triazol-4-yl]phenyl]ethanamine

N,N-dimethyl-1-[3-[1-[(5-methylpyrazin-2-yl)methyl]triazol-4-yl]phenyl]ethanamine (PubChem CID 72923116) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-[1-[(5-methylpyrazin-2-yl)methyl]triazol-4-yl]phenyl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-[1-[(5-methylpyrazin-2-yl)methyl]triazol-4-yl]phenyl]ethanamine
PubChem CID72923116
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC NameN,N-dimethyl-1-[3-[1-[(5-methylpyrazin-2-yl)methyl]triazol-4-yl]phenyl]ethanamine
SMILESCc1cnc(Cn2cc(-c3cccc(C(C)N(C)C)c3)nn2)cn1
InChIInChI=1S/C18H22N6/c1-13-9-20-17(10-19-13)11-24-12-18(21-22-24)16-7-5-6-15(8-16)14(2)23(3)4/h5-10,12,14H,11H2,1-4H3
InChIKeyCMYRFSSJCVZKOJ-UHFFFAOYSA-N
XLogP2.71
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-1-[3-[1-[(5-methylpyrazin-2-yl)methyl]triazol-4-yl]phenyl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-[1-[(5-methylpyrazin-2-yl)methyl]triazol-4-yl]phenyl]ethanamine?
The IUPAC name of N,N-dimethyl-1-[3-[1-[(5-methylpyrazin-2-yl)methyl]triazol-4-yl]phenyl]ethanamine (CID 72923116) is N,N-dimethyl-1-[3-[1-[(5-methylpyrazin-2-yl)methyl]triazol-4-yl]phenyl]ethanamine.
What is the SMILES notation for N,N-dimethyl-1-[3-[1-[(5-methylpyrazin-2-yl)methyl]triazol-4-yl]phenyl]ethanamine?
The canonical SMILES for N,N-dimethyl-1-[3-[1-[(5-methylpyrazin-2-yl)methyl]triazol-4-yl]phenyl]ethanamine is Cc1cnc(Cn2cc(-c3cccc(C(C)N(C)C)c3)nn2)cn1.
What is the InChIKey of N,N-dimethyl-1-[3-[1-[(5-methylpyrazin-2-yl)methyl]triazol-4-yl]phenyl]ethanamine?
The InChIKey is CMYRFSSJCVZKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-13-9-20-17(10-19-13)11-24-12-18(21-22-24)16-7-5-6-15(8-16)14(2)23(3)4/h5-10,12,14H,11H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[3-[1-[(5-methylpyrazin-2-yl)methyl]triazol-4-yl]phenyl]ethanamine?
N,N-dimethyl-1-[3-[1-[(5-methylpyrazin-2-yl)methyl]triazol-4-yl]phenyl]ethanamine has a molecular weight of 322.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-[1-[(5-methylpyrazin-2-yl)methyl]triazol-4-yl]phenyl]ethanamine is sourced from PubChem (CID 72923116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).