1-[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine

C12H15ClN4 — CID 116990158

IUPAC1-[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1(c2nc3ccc(Cl)cn3n2)CCC1
InChIInChI=1S/C12H15ClN4/c1-14-8-12(5-2-6-12)11-15-10-4-3-9(13)7-17(10)16-11/h3-4,7,14H,2,5-6,8H2,1H3
InChIKeyHJGUCXFUBXKJQD-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.02
Rot. Bonds3

About 1-[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine

1-[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine (PubChem CID 116990158) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 1-[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine
PubChem CID116990158
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name1-[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1(c2nc3ccc(Cl)cn3n2)CCC1
InChIInChI=1S/C12H15ClN4/c1-14-8-12(5-2-6-12)11-15-10-4-3-9(13)7-17(10)16-11/h3-4,7,14H,2,5-6,8H2,1H3
InChIKeyHJGUCXFUBXKJQD-UHFFFAOYSA-N
XLogP2.02
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine (CID 116990158) is 1-[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine is CNCC1(c2nc3ccc(Cl)cn3n2)CCC1.
What is the InChIKey of 1-[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine?
The InChIKey is HJGUCXFUBXKJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-14-8-12(5-2-6-12)11-15-10-4-3-9(13)7-17(10)16-11/h3-4,7,14H,2,5-6,8H2,1H3.
What are the key properties of 1-[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine?
1-[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine has a molecular weight of 250.73 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 116990158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).