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

C19H23N5 — CID 72871553

IUPACN,N-dimethyl-1-[3-[1-[(4-methyl-2-pyridinyl)methyl]triazol-4-yl]phenyl]ethanamine
SMILESCc1ccnc(Cn2cc(-c3cccc(C(C)N(C)C)c3)nn2)c1
InChIInChI=1S/C19H23N5/c1-14-8-9-20-18(10-14)12-24-13-19(21-22-24)17-7-5-6-16(11-17)15(2)23(3)4/h5-11,13,15H,12H2,1-4H3
InChIKeyPFUMMEFDXPHLFC-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.32
Rot. Bonds5

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

N,N-dimethyl-1-[3-[1-[(4-methyl-2-pyridinyl)methyl]triazol-4-yl]phenyl]ethanamine (PubChem CID 72871553) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-[1-[(4-methyl-2-pyridinyl)methyl]triazol-4-yl]phenyl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-[1-[(4-methyl-2-pyridinyl)methyl]triazol-4-yl]phenyl]ethanamine
PubChem CID72871553
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC NameN,N-dimethyl-1-[3-[1-[(4-methyl-2-pyridinyl)methyl]triazol-4-yl]phenyl]ethanamine
SMILESCc1ccnc(Cn2cc(-c3cccc(C(C)N(C)C)c3)nn2)c1
InChIInChI=1S/C19H23N5/c1-14-8-9-20-18(10-14)12-24-13-19(21-22-24)17-7-5-6-16(11-17)15(2)23(3)4/h5-11,13,15H,12H2,1-4H3
InChIKeyPFUMMEFDXPHLFC-UHFFFAOYSA-N
XLogP3.32
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-[1-[(4-methyl-2-pyridinyl)methyl]triazol-4-yl]phenyl]ethanamine?
The IUPAC name of N,N-dimethyl-1-[3-[1-[(4-methyl-2-pyridinyl)methyl]triazol-4-yl]phenyl]ethanamine (CID 72871553) is N,N-dimethyl-1-[3-[1-[(4-methyl-2-pyridinyl)methyl]triazol-4-yl]phenyl]ethanamine.
What is the SMILES notation for N,N-dimethyl-1-[3-[1-[(4-methyl-2-pyridinyl)methyl]triazol-4-yl]phenyl]ethanamine?
The canonical SMILES for N,N-dimethyl-1-[3-[1-[(4-methyl-2-pyridinyl)methyl]triazol-4-yl]phenyl]ethanamine is Cc1ccnc(Cn2cc(-c3cccc(C(C)N(C)C)c3)nn2)c1.
What is the InChIKey of N,N-dimethyl-1-[3-[1-[(4-methyl-2-pyridinyl)methyl]triazol-4-yl]phenyl]ethanamine?
The InChIKey is PFUMMEFDXPHLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-14-8-9-20-18(10-14)12-24-13-19(21-22-24)17-7-5-6-16(11-17)15(2)23(3)4/h5-11,13,15H,12H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[3-[1-[(4-methyl-2-pyridinyl)methyl]triazol-4-yl]phenyl]ethanamine?
N,N-dimethyl-1-[3-[1-[(4-methyl-2-pyridinyl)methyl]triazol-4-yl]phenyl]ethanamine has a molecular weight of 321.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-[1-[(4-methyl-2-pyridinyl)methyl]triazol-4-yl]phenyl]ethanamine is sourced from PubChem (CID 72871553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).