N-methyl-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-amine

C12H18N4 — CID 116989560

IUPACN-methyl-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-amine
SMILESCCC(CNC)c1nc2cccc(C)n2n1
InChIInChI=1S/C12H18N4/c1-4-10(8-13-3)12-14-11-7-5-6-9(2)16(11)15-12/h5-7,10,13H,4,8H2,1-3H3
InChIKeyNCPJNCMJRGCZMG-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.75
Rot. Bonds4

About N-methyl-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-amine

N-methyl-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-amine (PubChem CID 116989560) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-methyl-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-amine
PubChem CID116989560
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-methyl-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-amine
SMILESCCC(CNC)c1nc2cccc(C)n2n1
InChIInChI=1S/C12H18N4/c1-4-10(8-13-3)12-14-11-7-5-6-9(2)16(11)15-12/h5-7,10,13H,4,8H2,1-3H3
InChIKeyNCPJNCMJRGCZMG-UHFFFAOYSA-N
XLogP1.75
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-ol
CID 116989551
2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile
CID 116989558
2-amino-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanol
CID 116989528
2-(4-ethyl-6-methylpyrimidin-2-yl)-N-methylbutan-1-amine
CID 116896588
N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]cyclopropanamine
CID 116989478
1-(2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-methylmethanamine
CID 83866264
3-methoxy-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-1-ol
CID 106192575
4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline
CID 83966917
1-cyclopropyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine
CID 113282278
N-methyl-2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]butan-1-amine
CID 116896598
5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde
CID 83873006
5-methyl-N-(4-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114697218

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-amine?
The IUPAC name of N-methyl-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-amine (CID 116989560) is N-methyl-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-amine.
What is the SMILES notation for N-methyl-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-amine?
The canonical SMILES for N-methyl-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-amine is CCC(CNC)c1nc2cccc(C)n2n1.
What is the InChIKey of N-methyl-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-amine?
The InChIKey is NCPJNCMJRGCZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-4-10(8-13-3)12-14-11-7-5-6-9(2)16(11)15-12/h5-7,10,13H,4,8H2,1-3H3.
What are the key properties of N-methyl-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-amine?
N-methyl-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-amine has a molecular weight of 218.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-amine is sourced from PubChem (CID 116989560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).