3-ethyl-N-(4-methyl-4-pyrrolidin-1-ylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C19H33N5 — CID 154785117

IUPAC3-ethyl-N-(4-methyl-4-pyrrolidin-1-ylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCCc1nnc2n1CC(NC1CCC(C)(N3CCCC3)CC1)CC2
InChIInChI=1S/C19H33N5/c1-3-17-21-22-18-7-6-16(14-24(17)18)20-15-8-10-19(2,11-9-15)23-12-4-5-13-23/h15-16,20H,3-14H2,1-2H3
InChIKeyPXEMTTZNZCRICU-UHFFFAOYSA-N
MW331.51 g/mol
LogP2.54
Rot. Bonds4

About 3-ethyl-N-(4-methyl-4-pyrrolidin-1-ylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine

3-ethyl-N-(4-methyl-4-pyrrolidin-1-ylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 154785117) has the molecular formula C19H33N5 and a molecular weight of 331.51 g/mol. Its IUPAC name is 3-ethyl-N-(4-methyl-4-pyrrolidin-1-ylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-ethyl-N-(4-methyl-4-pyrrolidin-1-ylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID154785117
Molecular FormulaC19H33N5
Molecular Weight331.51 g/mol
Exact Mass331.27
IUPAC Name3-ethyl-N-(4-methyl-4-pyrrolidin-1-ylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCCc1nnc2n1CC(NC1CCC(C)(N3CCCC3)CC1)CC2
InChIInChI=1S/C19H33N5/c1-3-17-21-22-18-7-6-16(14-24(17)18)20-15-8-10-19(2,11-9-15)23-12-4-5-13-23/h15-16,20H,3-14H2,1-2H3
InChIKeyPXEMTTZNZCRICU-UHFFFAOYSA-N
XLogP2.54
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(4-methyl-4-pyrrolidin-1-ylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-ethyl-N-(4-methyl-4-pyrrolidin-1-ylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 154785117) is 3-ethyl-N-(4-methyl-4-pyrrolidin-1-ylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-ethyl-N-(4-methyl-4-pyrrolidin-1-ylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-ethyl-N-(4-methyl-4-pyrrolidin-1-ylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is CCc1nnc2n1CC(NC1CCC(C)(N3CCCC3)CC1)CC2.
What is the InChIKey of 3-ethyl-N-(4-methyl-4-pyrrolidin-1-ylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is PXEMTTZNZCRICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5/c1-3-17-21-22-18-7-6-16(14-24(17)18)20-15-8-10-19(2,11-9-15)23-12-4-5-13-23/h15-16,20H,3-14H2,1-2H3.
What are the key properties of 3-ethyl-N-(4-methyl-4-pyrrolidin-1-ylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-ethyl-N-(4-methyl-4-pyrrolidin-1-ylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 331.51 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(4-methyl-4-pyrrolidin-1-ylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 154785117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).