3-(ethylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-1-ol

C12H18N4OS — CID 64927159

IUPAC3-(ethylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-1-ol
SMILESCCNC(CCO)CSc1nnc2ccccn12
InChIInChI=1S/C12H18N4OS/c1-2-13-10(6-8-17)9-18-12-15-14-11-5-3-4-7-16(11)12/h3-5,7,10,13,17H,2,6,8-9H2,1H3
InChIKeyIXQFDTRXVFFYON-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.18
Rot. Bonds7

About 3-(ethylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-1-ol

3-(ethylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-1-ol (PubChem CID 64927159) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-(ethylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name3-(ethylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-1-ol
PubChem CID64927159
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name3-(ethylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-1-ol
SMILESCCNC(CCO)CSc1nnc2ccccn12
InChIInChI=1S/C12H18N4OS/c1-2-13-10(6-8-17)9-18-12-15-14-11-5-3-4-7-16(11)12/h3-5,7,10,13,17H,2,6,8-9H2,1H3
InChIKeyIXQFDTRXVFFYON-UHFFFAOYSA-N
XLogP1.18
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-1-ol
CID 64899231
(2S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 104889221
1-(propan-2-ylamino)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
CID 62851233
N-ethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine
CID 64632580
N-[(2R)-pentan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2434105
1-butoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
CID 107264104
N-propan-2-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-amine
CID 62848594
2-(propylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile
CID 63054624
methyl 2-(propan-2-ylamino)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
CID 62849657
ethyl 3-oxo-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoate
CID 60626192
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propyl]pentan-3-amine
CID 62850021
2,3-dimethyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-ol
CID 114399591

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-1-ol?
The IUPAC name of 3-(ethylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-1-ol (CID 64927159) is 3-(ethylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-1-ol.
What is the SMILES notation for 3-(ethylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-1-ol?
The canonical SMILES for 3-(ethylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-1-ol is CCNC(CCO)CSc1nnc2ccccn12.
What is the InChIKey of 3-(ethylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-1-ol?
The InChIKey is IXQFDTRXVFFYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-2-13-10(6-8-17)9-18-12-15-14-11-5-3-4-7-16(11)12/h3-5,7,10,13,17H,2,6,8-9H2,1H3.
What are the key properties of 3-(ethylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-1-ol?
3-(ethylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-1-ol has a molecular weight of 266.37 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-1-ol is sourced from PubChem (CID 64927159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).