4-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-2-amine

C13H20N4 — CID 63197968

IUPAC4-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-2-amine
SMILESCc1cc(C(C(C)C)C(C)N)n2ncnc2c1
InChIInChI=1S/C13H20N4/c1-8(2)13(10(4)14)11-5-9(3)6-12-15-7-16-17(11)12/h5-8,10,13H,14H2,1-4H3
InChIKeyKABVDWRWEHHNJC-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.12
Rot. Bonds3

About 4-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-2-amine

4-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-2-amine (PubChem CID 63197968) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-2-amine
PubChem CID63197968
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name4-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-2-amine
SMILESCc1cc(C(C(C)C)C(C)N)n2ncnc2c1
InChIInChI=1S/C13H20N4/c1-8(2)13(10(4)14)11-5-9(3)6-12-15-7-16-17(11)12/h5-8,10,13H,14H2,1-4H3
InChIKeyKABVDWRWEHHNJC-UHFFFAOYSA-N
XLogP2.12
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-2-amine?
The IUPAC name of 4-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-2-amine (CID 63197968) is 4-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-2-amine.
What is the SMILES notation for 4-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-2-amine?
The canonical SMILES for 4-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-2-amine is Cc1cc(C(C(C)C)C(C)N)n2ncnc2c1.
What is the InChIKey of 4-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-2-amine?
The InChIKey is KABVDWRWEHHNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-8(2)13(10(4)14)11-5-9(3)6-12-15-7-16-17(11)12/h5-8,10,13H,14H2,1-4H3.
What are the key properties of 4-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-2-amine?
4-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-2-amine has a molecular weight of 232.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-2-amine is sourced from PubChem (CID 63197968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).