(1R)-2-methoxy-N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine

C18H21N5O — CID 95710512

IUPAC(1R)-2-methoxy-N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine
SMILESCOC[C@@H](c1ccccn1)N(C)Cc1cn(-c2ccccc2)nn1
InChIInChI=1S/C18H21N5O/c1-22(18(14-24-2)17-10-6-7-11-19-17)12-15-13-23(21-20-15)16-8-4-3-5-9-16/h3-11,13,18H,12,14H2,1-2H3/t18-/m0/s1
InChIKeyYFWPWWPQWMPEMH-SFHVURJKSA-N
MW323.40 g/mol
LogP2.48
Rot. Bonds7

About (1R)-2-methoxy-N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine

(1R)-2-methoxy-N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 95710512) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is (1R)-2-methoxy-N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1R)-2-methoxy-N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine
PubChem CID95710512
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name(1R)-2-methoxy-N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine
SMILESCOC[C@@H](c1ccccn1)N(C)Cc1cn(-c2ccccc2)nn1
InChIInChI=1S/C18H21N5O/c1-22(18(14-24-2)17-10-6-7-11-19-17)12-15-13-23(21-20-15)16-8-4-3-5-9-16/h3-11,13,18H,12,14H2,1-2H3/t18-/m0/s1
InChIKeyYFWPWWPQWMPEMH-SFHVURJKSA-N
XLogP2.48
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-methoxy-N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1R)-2-methoxy-N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine (CID 95710512) is (1R)-2-methoxy-N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1R)-2-methoxy-N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1R)-2-methoxy-N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine is COC[C@@H](c1ccccn1)N(C)Cc1cn(-c2ccccc2)nn1.
What is the InChIKey of (1R)-2-methoxy-N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is YFWPWWPQWMPEMH-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21N5O/c1-22(18(14-24-2)17-10-6-7-11-19-17)12-15-13-23(21-20-15)16-8-4-3-5-9-16/h3-11,13,18H,12,14H2,1-2H3/t18-/m0/s1.
What are the key properties of (1R)-2-methoxy-N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine?
(1R)-2-methoxy-N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine has a molecular weight of 323.40 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-methoxy-N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 95710512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).