N-methyl-1-(5-methyl-1-pyridin-3-yltriazol-4-yl)ethanamine

C11H15N5 — CID 107586357

IUPACN-methyl-1-(5-methyl-1-pyridin-3-yltriazol-4-yl)ethanamine
SMILESCNC(C)c1nnn(-c2cccnc2)c1C
InChIInChI=1S/C11H15N5/c1-8(12-3)11-9(2)16(15-14-11)10-5-4-6-13-7-10/h4-8,12H,1-3H3
InChIKeyLYRZMLTUULQHSX-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.25
Rot. Bonds3

About N-methyl-1-(5-methyl-1-pyridin-3-yltriazol-4-yl)ethanamine

N-methyl-1-(5-methyl-1-pyridin-3-yltriazol-4-yl)ethanamine (PubChem CID 107586357) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-1-pyridin-3-yltriazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-1-pyridin-3-yltriazol-4-yl)ethanamine
PubChem CID107586357
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-methyl-1-(5-methyl-1-pyridin-3-yltriazol-4-yl)ethanamine
SMILESCNC(C)c1nnn(-c2cccnc2)c1C
InChIInChI=1S/C11H15N5/c1-8(12-3)11-9(2)16(15-14-11)10-5-4-6-13-7-10/h4-8,12H,1-3H3
InChIKeyLYRZMLTUULQHSX-UHFFFAOYSA-N
XLogP1.25
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-bromophenyl)-5-methyltriazol-4-yl]-N-methylethanamine
CID 43671298
1-[1-(2,5-dimethylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine
CID 43671272
1-[1-(5-chloro-2-methylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine
CID 43671154
N-methyl-4-(5-methyl-1-pyridin-3-yltriazol-4-yl)-N-propan-2-ylbenzamide
CID 45484905
N-[1-(5-methyl-1-phenyltriazol-4-yl)ethyl]-4-(triazol-2-yl)aniline
CID 146087804
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
1-(1-pyridin-3-yltetrazol-5-yl)ethanol
CID 173345359
N-[1-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
CID 43671189
N-ethyl-1-[1-(4-ethylphenyl)-5-methyltriazol-4-yl]ethanamine
CID 43671214
N-ethyl-1-[5-methyl-1-(4-propan-2-ylphenyl)triazol-4-yl]ethanamine
CID 43671245
1-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]ethanamine
CID 43671186
3-[4,5-di(propan-2-yl)pyrazol-1-yl]pyridine
CID 58128806

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-1-pyridin-3-yltriazol-4-yl)ethanamine?
The IUPAC name of N-methyl-1-(5-methyl-1-pyridin-3-yltriazol-4-yl)ethanamine (CID 107586357) is N-methyl-1-(5-methyl-1-pyridin-3-yltriazol-4-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(5-methyl-1-pyridin-3-yltriazol-4-yl)ethanamine?
The canonical SMILES for N-methyl-1-(5-methyl-1-pyridin-3-yltriazol-4-yl)ethanamine is CNC(C)c1nnn(-c2cccnc2)c1C.
What is the InChIKey of N-methyl-1-(5-methyl-1-pyridin-3-yltriazol-4-yl)ethanamine?
The InChIKey is LYRZMLTUULQHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-8(12-3)11-9(2)16(15-14-11)10-5-4-6-13-7-10/h4-8,12H,1-3H3.
What are the key properties of N-methyl-1-(5-methyl-1-pyridin-3-yltriazol-4-yl)ethanamine?
N-methyl-1-(5-methyl-1-pyridin-3-yltriazol-4-yl)ethanamine has a molecular weight of 217.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-1-pyridin-3-yltriazol-4-yl)ethanamine is sourced from PubChem (CID 107586357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).