2,3-dimethyl-2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butane-1,2-diamine

C13H21N5 — CID 113284111

IUPAC2,3-dimethyl-2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butane-1,2-diamine
SMILESCc1cccc2nc(NC(C)(CN)C(C)C)nn12
InChIInChI=1S/C13H21N5/c1-9(2)13(4,8-14)16-12-15-11-7-5-6-10(3)18(11)17-12/h5-7,9H,8,14H2,1-4H3,(H,16,17)
InChIKeyIIOKICYBLSIWML-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.82
Rot. Bonds4

About 2,3-dimethyl-2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butane-1,2-diamine

2,3-dimethyl-2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butane-1,2-diamine (PubChem CID 113284111) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 2,3-dimethyl-2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2,3-dimethyl-2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butane-1,2-diamine
PubChem CID113284111
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name2,3-dimethyl-2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butane-1,2-diamine
SMILESCc1cccc2nc(NC(C)(CN)C(C)C)nn12
InChIInChI=1S/C13H21N5/c1-9(2)13(4,8-14)16-12-15-11-7-5-6-10(3)18(11)17-12/h5-7,9H,8,14H2,1-4H3,(H,16,17)
InChIKeyIIOKICYBLSIWML-UHFFFAOYSA-N
XLogP1.82
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butane-1,2-diamine?
The IUPAC name of 2,3-dimethyl-2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butane-1,2-diamine (CID 113284111) is 2,3-dimethyl-2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butane-1,2-diamine.
What is the SMILES notation for 2,3-dimethyl-2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butane-1,2-diamine?
The canonical SMILES for 2,3-dimethyl-2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butane-1,2-diamine is Cc1cccc2nc(NC(C)(CN)C(C)C)nn12.
What is the InChIKey of 2,3-dimethyl-2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butane-1,2-diamine?
The InChIKey is IIOKICYBLSIWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-9(2)13(4,8-14)16-12-15-11-7-5-6-10(3)18(11)17-12/h5-7,9H,8,14H2,1-4H3,(H,16,17).
What are the key properties of 2,3-dimethyl-2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butane-1,2-diamine?
2,3-dimethyl-2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butane-1,2-diamine has a molecular weight of 247.35 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butane-1,2-diamine is sourced from PubChem (CID 113284111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).