3-N-benzyl-[1,2,4]triazolo[4,3-a]pyridine-3,6-diamine

C13H13N5 — CID 121260958

IUPAC3-N-benzyl-[1,2,4]triazolo[4,3-a]pyridine-3,6-diamine
SMILESNc1ccc2nnc(NCc3ccccc3)n2c1
InChIInChI=1S/C13H13N5/c14-11-6-7-12-16-17-13(18(12)9-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8,14H2,(H,15,17)
InChIKeyDPFVIIFEOGPOFB-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.92
Rot. Bonds3

About 3-N-benzyl-[1,2,4]triazolo[4,3-a]pyridine-3,6-diamine

3-N-benzyl-[1,2,4]triazolo[4,3-a]pyridine-3,6-diamine (PubChem CID 121260958) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-N-benzyl-[1,2,4]triazolo[4,3-a]pyridine-3,6-diamine.

Molecular Properties

Compound Name3-N-benzyl-[1,2,4]triazolo[4,3-a]pyridine-3,6-diamine
PubChem CID121260958
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name3-N-benzyl-[1,2,4]triazolo[4,3-a]pyridine-3,6-diamine
SMILESNc1ccc2nnc(NCc3ccccc3)n2c1
InChIInChI=1S/C13H13N5/c14-11-6-7-12-16-17-13(18(12)9-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8,14H2,(H,15,17)
InChIKeyDPFVIIFEOGPOFB-UHFFFAOYSA-N
XLogP1.92
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-6-(diethylaminosulfanyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine
CID 145061746
3-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 114028936
2-(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol
CID 137006538
N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 121260916
3-(2-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 79205858
N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine
CID 29188647
4-(anilinomethyl)aniline;dihydrochloride
CID 517605
3-N-benzyl-6-chloro-1,2,4-triazine-3,5-diamine
CID 130708825
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
2-[3-amino-4-(benzylamino)pyrazol-1-yl]ethanol
CID 121012987
N-[(3-aminophenyl)methyl]-1-phenyltetrazol-5-amine
CID 62500427
N-benzyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 20880739

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-[1,2,4]triazolo[4,3-a]pyridine-3,6-diamine?
The IUPAC name of 3-N-benzyl-[1,2,4]triazolo[4,3-a]pyridine-3,6-diamine (CID 121260958) is 3-N-benzyl-[1,2,4]triazolo[4,3-a]pyridine-3,6-diamine.
What is the SMILES notation for 3-N-benzyl-[1,2,4]triazolo[4,3-a]pyridine-3,6-diamine?
The canonical SMILES for 3-N-benzyl-[1,2,4]triazolo[4,3-a]pyridine-3,6-diamine is Nc1ccc2nnc(NCc3ccccc3)n2c1.
What is the InChIKey of 3-N-benzyl-[1,2,4]triazolo[4,3-a]pyridine-3,6-diamine?
The InChIKey is DPFVIIFEOGPOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c14-11-6-7-12-16-17-13(18(12)9-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8,14H2,(H,15,17).
What are the key properties of 3-N-benzyl-[1,2,4]triazolo[4,3-a]pyridine-3,6-diamine?
3-N-benzyl-[1,2,4]triazolo[4,3-a]pyridine-3,6-diamine has a molecular weight of 239.28 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-[1,2,4]triazolo[4,3-a]pyridine-3,6-diamine is sourced from PubChem (CID 121260958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).