2-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methoxypropanamide

C12H21N5O2 — CID 120989967

IUPAC2-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methoxypropanamide
SMILESCCc1nc2n(n1)CC(NC(=O)C(N)COC)CC2
InChIInChI=1S/C12H21N5O2/c1-3-10-15-11-5-4-8(6-17(11)16-10)14-12(18)9(13)7-19-2/h8-9H,3-7,13H2,1-2H3,(H,14,18)
InChIKeyBQRSPIYOMZGHCZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.75
Rot. Bonds5

About 2-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methoxypropanamide

2-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methoxypropanamide (PubChem CID 120989967) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methoxypropanamide
PubChem CID120989967
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methoxypropanamide
SMILESCCc1nc2n(n1)CC(NC(=O)C(N)COC)CC2
InChIInChI=1S/C12H21N5O2/c1-3-10-15-11-5-4-8(6-17(11)16-10)14-12(18)9(13)7-19-2/h8-9H,3-7,13H2,1-2H3,(H,14,18)
InChIKeyBQRSPIYOMZGHCZ-UHFFFAOYSA-N
XLogP-0.75
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methoxypropanamide?
The IUPAC name of 2-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methoxypropanamide (CID 120989967) is 2-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methoxypropanamide is CCc1nc2n(n1)CC(NC(=O)C(N)COC)CC2.
What is the InChIKey of 2-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methoxypropanamide?
The InChIKey is BQRSPIYOMZGHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-3-10-15-11-5-4-8(6-17(11)16-10)14-12(18)9(13)7-19-2/h8-9H,3-7,13H2,1-2H3,(H,14,18).
What are the key properties of 2-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methoxypropanamide?
2-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methoxypropanamide has a molecular weight of 267.33 g/mol, XLogP of -0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methoxypropanamide is sourced from PubChem (CID 120989967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).