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

C14H22N4S — CID 64633370

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

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

N-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)heptan-4-amine (PubChem CID 64633370) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)heptan-4-amine.

Molecular Properties

Compound NameN-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)heptan-4-amine
PubChem CID64633370
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC NameN-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)heptan-4-amine
SMILESCCCC(NC)C(CC)Sc1nnc2ccccn12
InChIInChI=1S/C14H22N4S/c1-4-8-11(15-3)12(5-2)19-14-17-16-13-9-6-7-10-18(13)14/h6-7,9-12,15H,4-5,8H2,1-3H3
InChIKeyGIJAUIYOLPEBKB-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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Related Compounds

2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid
CID 83038187
N-ethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine
CID 64632580
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propyl]pentan-3-amine
CID 62850021
N-[(2R)-pentan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2434105
ethyl 2-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetate
CID 79357243
3-hexan-3-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 138507184
2-(propylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile
CID 63054624
(2S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 104889221
4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid
CID 55126924
N-[(2S)-butan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 8015110
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)heptan-4-amine?
The IUPAC name of N-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)heptan-4-amine (CID 64633370) is N-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)heptan-4-amine.
What is the SMILES notation for N-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)heptan-4-amine?
The canonical SMILES for N-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)heptan-4-amine is CCCC(NC)C(CC)Sc1nnc2ccccn12.
What is the InChIKey of N-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)heptan-4-amine?
The InChIKey is GIJAUIYOLPEBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-4-8-11(15-3)12(5-2)19-14-17-16-13-9-6-7-10-18(13)14/h6-7,9-12,15H,4-5,8H2,1-3H3.
What are the key properties of N-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)heptan-4-amine?
N-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)heptan-4-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-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)heptan-4-amine is sourced from PubChem (CID 64633370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).