N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propyl]pentan-3-amine

C14H22N4S — CID 62850021

IUPACN-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)Sc1nnc2ccccn12
InChIInChI=1S/C14H22N4S/c1-4-12(5-2)15-10-11(3)19-14-17-16-13-8-6-7-9-18(13)14/h6-9,11-12,15H,4-5,10H2,1-3H3
InChIKeyUXYJVZJMCCLJEE-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.99
Rot. Bonds7

About N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propyl]pentan-3-amine

N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propyl]pentan-3-amine (PubChem CID 62850021) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propyl]pentan-3-amine
PubChem CID62850021
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC NameN-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)Sc1nnc2ccccn12
InChIInChI=1S/C14H22N4S/c1-4-12(5-2)15-10-11(3)19-14-17-16-13-8-6-7-9-18(13)14/h6-9,11-12,15H,4-5,10H2,1-3H3
InChIKeyUXYJVZJMCCLJEE-UHFFFAOYSA-N
XLogP2.99
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propyl]pentan-3-amine?
The IUPAC name of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propyl]pentan-3-amine (CID 62850021) is N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propyl]pentan-3-amine.
What is the SMILES notation for N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propyl]pentan-3-amine?
The canonical SMILES for N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propyl]pentan-3-amine is CCC(CC)NCC(C)Sc1nnc2ccccn12.
What is the InChIKey of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propyl]pentan-3-amine?
The InChIKey is UXYJVZJMCCLJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-4-12(5-2)15-10-11(3)19-14-17-16-13-8-6-7-9-18(13)14/h6-9,11-12,15H,4-5,10H2,1-3H3.
What are the key properties of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propyl]pentan-3-amine?
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propyl]pentan-3-amine has a molecular weight of 278.42 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propyl]pentan-3-amine is sourced from PubChem (CID 62850021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).