N-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C18H18N6O2S — CID 59199051

IUPACN-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCn1cc(Nc2nc3c(-c4ccc(S(C)(=O)=O)cc4)cccn3n2)cn1
InChIInChI=1S/C18H18N6O2S/c1-3-23-12-14(11-19-23)20-18-21-17-16(5-4-10-24(17)22-18)13-6-8-15(9-7-13)27(2,25)26/h4-12H,3H2,1-2H3,(H,20,22)
InChIKeyBBLVELRPVZJYET-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.76
Rot. Bonds5

About N-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59199051) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59199051
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC NameN-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCn1cc(Nc2nc3c(-c4ccc(S(C)(=O)=O)cc4)cccn3n2)cn1
InChIInChI=1S/C18H18N6O2S/c1-3-23-12-14(11-19-23)20-18-21-17-16(5-4-10-24(17)22-18)13-6-8-15(9-7-13)27(2,25)26/h4-12H,3H2,1-2H3,(H,20,22)
InChIKeyBBLVELRPVZJYET-UHFFFAOYSA-N
XLogP2.76
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59199051) is N-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CCn1cc(Nc2nc3c(-c4ccc(S(C)(=O)=O)cc4)cccn3n2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is BBLVELRPVZJYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S/c1-3-23-12-14(11-19-23)20-18-21-17-16(5-4-10-24(17)22-18)13-6-8-15(9-7-13)27(2,25)26/h4-12H,3H2,1-2H3,(H,20,22).
What are the key properties of N-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 382.45 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59199051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).