1-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl]-4-methylpiperidin-4-amine

C19H21Cl2N5 — CID 148722082

IUPAC1-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl]-4-methylpiperidin-4-amine
SMILESCc1cc(N2CCC(C)(N)CC2)n2cnnc2c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C19H21Cl2N5/c1-12-10-15(25-8-6-19(2,22)7-9-25)26-11-23-24-18(26)16(12)13-4-3-5-14(20)17(13)21/h3-5,10-11H,6-9,22H2,1-2H3
InChIKeyNZGZORQQYRXXGY-UHFFFAOYSA-N
MW390.32 g/mol
LogP4.33
Rot. Bonds2

About 1-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl]-4-methylpiperidin-4-amine

1-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl]-4-methylpiperidin-4-amine (PubChem CID 148722082) has the molecular formula C19H21Cl2N5 and a molecular weight of 390.32 g/mol. Its IUPAC name is 1-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl]-4-methylpiperidin-4-amine
PubChem CID148722082
Molecular FormulaC19H21Cl2N5
Molecular Weight390.32 g/mol
Exact Mass389.12
IUPAC Name1-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl]-4-methylpiperidin-4-amine
SMILESCc1cc(N2CCC(C)(N)CC2)n2cnnc2c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C19H21Cl2N5/c1-12-10-15(25-8-6-19(2,22)7-9-25)26-11-23-24-18(26)16(12)13-4-3-5-14(20)17(13)21/h3-5,10-11H,6-9,22H2,1-2H3
InChIKeyNZGZORQQYRXXGY-UHFFFAOYSA-N
XLogP4.33
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl]-4-methylpiperidin-4-amine (CID 148722082) is 1-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl]-4-methylpiperidin-4-amine is Cc1cc(N2CCC(C)(N)CC2)n2cnnc2c1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl]-4-methylpiperidin-4-amine?
The InChIKey is NZGZORQQYRXXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N5/c1-12-10-15(25-8-6-19(2,22)7-9-25)26-11-23-24-18(26)16(12)13-4-3-5-14(20)17(13)21/h3-5,10-11H,6-9,22H2,1-2H3.
What are the key properties of 1-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl]-4-methylpiperidin-4-amine?
1-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl]-4-methylpiperidin-4-amine has a molecular weight of 390.32 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 148722082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).