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

C11H17N5 — CID 115319453

IUPACN'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propane-1,3-diamine
SMILESCc1cccc2nc(N(C)CCCN)nn12
InChIInChI=1S/C11H17N5/c1-9-5-3-6-10-13-11(14-16(9)10)15(2)8-4-7-12/h3,5-6H,4,7-8,12H2,1-2H3
InChIKeyLDJUDWCRTJEESV-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.82
Rot. Bonds4

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

N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propane-1,3-diamine (PubChem CID 115319453) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propane-1,3-diamine
PubChem CID115319453
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC NameN'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propane-1,3-diamine
SMILESCc1cccc2nc(N(C)CCCN)nn12
InChIInChI=1S/C11H17N5/c1-9-5-3-6-10-13-11(14-16(9)10)15(2)8-4-7-12/h3,5-6H,4,7-8,12H2,1-2H3
InChIKeyLDJUDWCRTJEESV-UHFFFAOYSA-N
XLogP0.82
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propane-1,3-diamine (CID 115319453) is N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propane-1,3-diamine is Cc1cccc2nc(N(C)CCCN)nn12.
What is the InChIKey of N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propane-1,3-diamine?
The InChIKey is LDJUDWCRTJEESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-9-5-3-6-10-13-11(14-16(9)10)15(2)8-4-7-12/h3,5-6H,4,7-8,12H2,1-2H3.
What are the key properties of N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propane-1,3-diamine?
N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propane-1,3-diamine has a molecular weight of 219.29 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 115319453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).