7-[2-(benzylamino)-1-phenylethyl]sulfanyl-2H-triazolo[4,5-b]pyridin-5-amine

C20H20N6S — CID 118949160

IUPAC7-[2-(benzylamino)-1-phenylethyl]sulfanyl-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(SC(CNCc2ccccc2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C20H20N6S/c21-18-11-16(19-20(23-18)25-26-24-19)27-17(15-9-5-2-6-10-15)13-22-12-14-7-3-1-4-8-14/h1-11,17,22H,12-13H2,(H3,21,23,24,25,26)
InChIKeyMMFCENAHEVDXHW-UHFFFAOYSA-N
MW376.49 g/mol
LogP3.56
Rot. Bonds7

About 7-[2-(benzylamino)-1-phenylethyl]sulfanyl-2H-triazolo[4,5-b]pyridin-5-amine

7-[2-(benzylamino)-1-phenylethyl]sulfanyl-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 118949160) has the molecular formula C20H20N6S and a molecular weight of 376.49 g/mol. Its IUPAC name is 7-[2-(benzylamino)-1-phenylethyl]sulfanyl-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[2-(benzylamino)-1-phenylethyl]sulfanyl-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID118949160
Molecular FormulaC20H20N6S
Molecular Weight376.49 g/mol
Exact Mass376.15
IUPAC Name7-[2-(benzylamino)-1-phenylethyl]sulfanyl-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(SC(CNCc2ccccc2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C20H20N6S/c21-18-11-16(19-20(23-18)25-26-24-19)27-17(15-9-5-2-6-10-15)13-22-12-14-7-3-1-4-8-14/h1-11,17,22H,12-13H2,(H3,21,23,24,25,26)
InChIKeyMMFCENAHEVDXHW-UHFFFAOYSA-N
XLogP3.56
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-[2-(benzylamino)-1-phenylethyl]sulfanyl-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

Mpo-IN-4
CID 126650041
7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 130450939
7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702628
3-(benzenesulfonyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine
CID 2136382
3-(benzenesulfonyl)-N-benzyltriazolo[1,5-a]quinazolin-5-amine
CID 20878431
3-(Benzenesulfonyl)-N-(butan-2-YL)-[1,2,3]triazolo[1,5-A]quinazolin-5-amine
CID 20878443
N-(4-fluorobenzyl)-3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
CID 16019574
N-(1-phenylethyl)-3-tosylthieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
CID 16019609
2-Ethyl-5,7-dimethyl-3-{4-[2-(2H-tetrazol-5-yl)-thiophen-3-yl]-benzyl}-3H-imidazo[4,5-b]pyridine
CID 19802473
3-phenyl-N-(2-phenylethyl)triazolo[4,5-b]pyridin-5-amine
CID 57396964
4-[2-[(3-Phenyltriazolo[4,5-b]pyridin-5-yl)amino]ethyl]benzenesulfonamide
CID 57403842
7-[(2,6-dichlorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118948999

Frequently Asked Questions

What is the IUPAC name of 7-[2-(benzylamino)-1-phenylethyl]sulfanyl-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[2-(benzylamino)-1-phenylethyl]sulfanyl-2H-triazolo[4,5-b]pyridin-5-amine (CID 118949160) is 7-[2-(benzylamino)-1-phenylethyl]sulfanyl-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[2-(benzylamino)-1-phenylethyl]sulfanyl-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[2-(benzylamino)-1-phenylethyl]sulfanyl-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(SC(CNCc2ccccc2)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[2-(benzylamino)-1-phenylethyl]sulfanyl-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is MMFCENAHEVDXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6S/c21-18-11-16(19-20(23-18)25-26-24-19)27-17(15-9-5-2-6-10-15)13-22-12-14-7-3-1-4-8-14/h1-11,17,22H,12-13H2,(H3,21,23,24,25,26).
What are the key properties of 7-[2-(benzylamino)-1-phenylethyl]sulfanyl-2H-triazolo[4,5-b]pyridin-5-amine?
7-[2-(benzylamino)-1-phenylethyl]sulfanyl-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 376.49 g/mol, XLogP of 3.56, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(benzylamino)-1-phenylethyl]sulfanyl-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 118949160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).