2-(propylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile

C13H17N5S — CID 63054624

IUPAC2-(propylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile
SMILESCCCNC(C#N)CCSc1nnc2ccccn12
InChIInChI=1S/C13H17N5S/c1-2-7-15-11(10-14)6-9-19-13-17-16-12-5-3-4-8-18(12)13/h3-5,8,11,15H,2,6-7,9H2,1H3
InChIKeyLDVBKLHUPZCHDX-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.10
Rot. Bonds7

About 2-(propylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile

2-(propylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile (PubChem CID 63054624) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-(propylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile.

Molecular Properties

Compound Name2-(propylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile
PubChem CID63054624
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name2-(propylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile
SMILESCCCNC(C#N)CCSc1nnc2ccccn12
InChIInChI=1S/C13H17N5S/c1-2-7-15-11(10-14)6-9-19-13-17-16-12-5-3-4-8-18(12)13/h3-5,8,11,15H,2,6-7,9H2,1H3
InChIKeyLDVBKLHUPZCHDX-UHFFFAOYSA-N
XLogP2.10
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(propylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile with MolForge

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Related Compounds

2-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile
CID 63054977
N-propan-2-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-amine
CID 62848594
5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanenitrile
CID 60626204
2-amino-2-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile
CID 62850185
methyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
CID 15627151
N-[(2R)-pentan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2434105
3-(ethylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-1-ol
CID 64927159
(2S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 104889221
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanenitrile
CID 55145079
2-(propylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanenitrile
CID 63055136
3-(2-azidoethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 55209832
1-(propan-2-ylamino)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
CID 62851233

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile?
The IUPAC name of 2-(propylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile (CID 63054624) is 2-(propylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile.
What is the SMILES notation for 2-(propylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile?
The canonical SMILES for 2-(propylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile is CCCNC(C#N)CCSc1nnc2ccccn12.
What is the InChIKey of 2-(propylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile?
The InChIKey is LDVBKLHUPZCHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-2-7-15-11(10-14)6-9-19-13-17-16-12-5-3-4-8-18(12)13/h3-5,8,11,15H,2,6-7,9H2,1H3.
What are the key properties of 2-(propylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile?
2-(propylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile has a molecular weight of 275.38 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile is sourced from PubChem (CID 63054624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).