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

C19H31N5O — CID 56780056

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]acetamide
SMILESCC(C)c1nc2n(n1)CC(NCC(=O)NCCC1=CCCCC1)CC2
InChIInChI=1S/C19H31N5O/c1-14(2)19-22-17-9-8-16(13-24(17)23-19)21-12-18(25)20-11-10-15-6-4-3-5-7-15/h6,14,16,21H,3-5,7-13H2,1-2H3,(H,20,25)
InChIKeyVZVRFNUCEHETEC-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.31
Rot. Bonds7

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

N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]acetamide (PubChem CID 56780056) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]acetamide
PubChem CID56780056
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]acetamide
SMILESCC(C)c1nc2n(n1)CC(NCC(=O)NCCC1=CCCCC1)CC2
InChIInChI=1S/C19H31N5O/c1-14(2)19-22-17-9-8-16(13-24(17)23-19)21-12-18(25)20-11-10-15-6-4-3-5-7-15/h6,14,16,21H,3-5,7-13H2,1-2H3,(H,20,25)
InChIKeyVZVRFNUCEHETEC-UHFFFAOYSA-N
XLogP2.31
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]acetamide (CID 56780056) is N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]acetamide is CC(C)c1nc2n(n1)CC(NCC(=O)NCCC1=CCCCC1)CC2.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]acetamide?
The InChIKey is VZVRFNUCEHETEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-14(2)19-22-17-9-8-16(13-24(17)23-19)21-12-18(25)20-11-10-15-6-4-3-5-7-15/h6,14,16,21H,3-5,7-13H2,1-2H3,(H,20,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]acetamide has a molecular weight of 345.49 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]acetamide is sourced from PubChem (CID 56780056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).