N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine

C13H19N5 — CID 56760298

IUPACN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine
SMILESCCn1ncnc1CN(C)C(C)c1cccnc1
InChIInChI=1S/C13H19N5/c1-4-18-13(15-10-16-18)9-17(3)11(2)12-6-5-7-14-8-12/h5-8,10-11H,4,9H2,1-3H3
InChIKeyCHUHPFFTPVYUNU-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.89
Rot. Bonds5

About N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine

N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine (PubChem CID 56760298) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine
PubChem CID56760298
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine
SMILESCCn1ncnc1CN(C)C(C)c1cccnc1
InChIInChI=1S/C13H19N5/c1-4-18-13(15-10-16-18)9-17(3)11(2)12-6-5-7-14-8-12/h5-8,10-11H,4,9H2,1-3H3
InChIKeyCHUHPFFTPVYUNU-UHFFFAOYSA-N
XLogP1.89
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine
CID 99929254
N-methyl-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 143947974
(1R)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 99948670
(1R)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-3-ylethanamine
CID 95119543
N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 77080069
(1R)-N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 99820131
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 71908460
N-methyl-N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 86790235
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 62696832
2-[3-[[methyl(1-pyridin-3-ylethyl)amino]methyl]phenoxy]acetamide
CID 77081738
3-methyl-6-[[methyl(1-pyridin-3-ylethyl)amino]methyl]-1,3-benzothiazol-2-one
CID 91653501
N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 126792532

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine?
The IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine (CID 56760298) is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine?
The canonical SMILES for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine is CCn1ncnc1CN(C)C(C)c1cccnc1.
What is the InChIKey of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine?
The InChIKey is CHUHPFFTPVYUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-18-13(15-10-16-18)9-17(3)11(2)12-6-5-7-14-8-12/h5-8,10-11H,4,9H2,1-3H3.
What are the key properties of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine?
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine is sourced from PubChem (CID 56760298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).