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

C12H18N4S — CID 64632580

IUPACN-ethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine
SMILESCCNC(C)C(C)Sc1nnc2ccccn12
InChIInChI=1S/C12H18N4S/c1-4-13-9(2)10(3)17-12-15-14-11-7-5-6-8-16(11)12/h5-10,13H,4H2,1-3H3
InChIKeyAZVKASKARXIKFN-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.21
Rot. Bonds5

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

N-ethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine (PubChem CID 64632580) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-ethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine
PubChem CID64632580
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-ethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine
SMILESCCNC(C)C(C)Sc1nnc2ccccn12
InChIInChI=1S/C12H18N4S/c1-4-13-9(2)10(3)17-12-15-14-11-7-5-6-8-16(11)12/h5-10,13H,4H2,1-3H3
InChIKeyAZVKASKARXIKFN-UHFFFAOYSA-N
XLogP2.21
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propyl]pentan-3-amine
CID 62850021
3-(ethylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-1-ol
CID 64927159
N-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)heptan-4-amine
CID 64633370
(2S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 104889221
3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoic acid
CID 62849275
methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
CID 60626209
1-(propan-2-ylamino)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
CID 62851233
N-propan-2-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-amine
CID 62848594
2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid
CID 83038187
4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid
CID 55126924
N'-hydroxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanimidamide
CID 76950750
2-(2-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine
CID 62848582

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine?
The IUPAC name of N-ethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine (CID 64632580) is N-ethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine.
What is the SMILES notation for N-ethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine?
The canonical SMILES for N-ethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine is CCNC(C)C(C)Sc1nnc2ccccn12.
What is the InChIKey of N-ethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine?
The InChIKey is AZVKASKARXIKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-4-13-9(2)10(3)17-12-15-14-11-7-5-6-8-16(11)12/h5-10,13H,4H2,1-3H3.
What are the key properties of N-ethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine?
N-ethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine is sourced from PubChem (CID 64632580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).