5-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyridin-2-amine

C18H20ClN5 — CID 66785151

IUPAC5-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyridin-2-amine
SMILESCC(C)Nc1ccc(-c2ccn3c(CC4CC4)nnc3c2Cl)cn1
InChIInChI=1S/C18H20ClN5/c1-11(2)21-15-6-5-13(10-20-15)14-7-8-24-16(9-12-3-4-12)22-23-18(24)17(14)19/h5-8,10-12H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyGVIIMNXSBUSNFY-UHFFFAOYSA-N
MW341.85 g/mol
LogP4.22
Rot. Bonds5

About 5-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyridin-2-amine

5-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyridin-2-amine (PubChem CID 66785151) has the molecular formula C18H20ClN5 and a molecular weight of 341.85 g/mol. Its IUPAC name is 5-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyridin-2-amine
PubChem CID66785151
Molecular FormulaC18H20ClN5
Molecular Weight341.85 g/mol
Exact Mass341.14
IUPAC Name5-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyridin-2-amine
SMILESCC(C)Nc1ccc(-c2ccn3c(CC4CC4)nnc3c2Cl)cn1
InChIInChI=1S/C18H20ClN5/c1-11(2)21-15-6-5-13(10-20-15)14-7-8-24-16(9-12-3-4-12)22-23-18(24)17(14)19/h5-8,10-12H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyGVIIMNXSBUSNFY-UHFFFAOYSA-N
XLogP4.22
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyridin-2-amine (CID 66785151) is 5-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyridin-2-amine is CC(C)Nc1ccc(-c2ccn3c(CC4CC4)nnc3c2Cl)cn1.
What is the InChIKey of 5-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyridin-2-amine?
The InChIKey is GVIIMNXSBUSNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5/c1-11(2)21-15-6-5-13(10-20-15)14-7-8-24-16(9-12-3-4-12)22-23-18(24)17(14)19/h5-8,10-12H,3-4,9H2,1-2H3,(H,20,21).
What are the key properties of 5-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyridin-2-amine?
5-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyridin-2-amine has a molecular weight of 341.85 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 66785151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).