(1R)-N-methyl-1-pyridin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine

C17H19N5 — CID 95120319

IUPAC(1R)-N-methyl-1-pyridin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine
SMILESC[C@H](c1ccccn1)N(C)Cc1ccc(-n2cncn2)cc1
InChIInChI=1S/C17H19N5/c1-14(17-5-3-4-10-19-17)21(2)11-15-6-8-16(9-7-15)22-13-18-12-20-22/h3-10,12-14H,11H2,1-2H3/t14-/m1/s1
InChIKeyKELDDCWUZOXMRE-CQSZACIVSA-N
MW293.37 g/mol
LogP2.86
Rot. Bonds5

About (1R)-N-methyl-1-pyridin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine

(1R)-N-methyl-1-pyridin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine (PubChem CID 95120319) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is (1R)-N-methyl-1-pyridin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-N-methyl-1-pyridin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine
PubChem CID95120319
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name(1R)-N-methyl-1-pyridin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine
SMILESC[C@H](c1ccccn1)N(C)Cc1ccc(-n2cncn2)cc1
InChIInChI=1S/C17H19N5/c1-14(17-5-3-4-10-19-17)21(2)11-15-6-8-16(9-7-15)22-13-18-12-20-22/h3-10,12-14H,11H2,1-2H3/t14-/m1/s1
InChIKeyKELDDCWUZOXMRE-CQSZACIVSA-N
XLogP2.86
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 75417275
(1S)-N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 97314250
2-[4-[[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]phenyl]benzonitrile
CID 42937152
(1R)-N-[(1-ethenylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine
CID 99841792
(1S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-2-ylethanamine
CID 95144676
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 71912735
1-[4-(2-methylbutyl)phenyl]-1,2,4-triazole
CID 146588062
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide
CID 78818390
N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-2-ylethanamine
CID 56716440
N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]prop-2-en-1-amine
CID 86907029
N-methyl-N-[(5-nitrothiophen-3-yl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 87008647
1-methyl-1-[(4-phenylphenyl)methyl]-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 78871257

Frequently Asked Questions

What is the IUPAC name of (1R)-N-methyl-1-pyridin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of (1R)-N-methyl-1-pyridin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine (CID 95120319) is (1R)-N-methyl-1-pyridin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for (1R)-N-methyl-1-pyridin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for (1R)-N-methyl-1-pyridin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine is C[C@H](c1ccccn1)N(C)Cc1ccc(-n2cncn2)cc1.
What is the InChIKey of (1R)-N-methyl-1-pyridin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine?
The InChIKey is KELDDCWUZOXMRE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N5/c1-14(17-5-3-4-10-19-17)21(2)11-15-6-8-16(9-7-15)22-13-18-12-20-22/h3-10,12-14H,11H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-N-methyl-1-pyridin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine?
(1R)-N-methyl-1-pyridin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine has a molecular weight of 293.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-1-pyridin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 95120319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).