N-ethyl-N-(2-methylprop-2-enyl)-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propanamide

C20H27N5O — CID 139010756

IUPACN-ethyl-N-(2-methylprop-2-enyl)-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propanamide
SMILESC=C(C)CN(CC)C(=O)C(C)N1CCc2c(nnn2-c2ccccc2)C1
InChIInChI=1S/C20H27N5O/c1-5-23(13-15(2)3)20(26)16(4)24-12-11-19-18(14-24)21-22-25(19)17-9-7-6-8-10-17/h6-10,16H,2,5,11-14H2,1,3-4H3
InChIKeyBHZRLXASTLVVET-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.44
Rot. Bonds6

About N-ethyl-N-(2-methylprop-2-enyl)-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propanamide

N-ethyl-N-(2-methylprop-2-enyl)-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propanamide (PubChem CID 139010756) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propanamide
PubChem CID139010756
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propanamide
SMILESC=C(C)CN(CC)C(=O)C(C)N1CCc2c(nnn2-c2ccccc2)C1
InChIInChI=1S/C20H27N5O/c1-5-23(13-15(2)3)20(26)16(4)24-12-11-19-18(14-24)21-22-25(19)17-9-7-6-8-10-17/h6-10,16H,2,5,11-14H2,1,3-4H3
InChIKeyBHZRLXASTLVVET-UHFFFAOYSA-N
XLogP2.44
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-5-(1-pyrimidin-2-ylethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 154770298
5-ethyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 920235
5-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;dihydrochloride
CID 2872006
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethylpropanamide
CID 61013701
3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 126527265
1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)hex-5-en-2-ol
CID 139010761
N-benzyl-N-ethyl-2-(4-hydroxypiperidin-1-yl)propanamide
CID 110877676
(2,3-dichlorophenyl)-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
CID 86270818
N-[(5-benzyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-ethylacetamide
CID 42808543
N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]propanamide
CID 87022176
N-benzyl-N-ethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 84591484
3-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]triazole
CID 13110863

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propanamide?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propanamide (CID 139010756) is N-ethyl-N-(2-methylprop-2-enyl)-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propanamide.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propanamide?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propanamide is C=C(C)CN(CC)C(=O)C(C)N1CCc2c(nnn2-c2ccccc2)C1.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propanamide?
The InChIKey is BHZRLXASTLVVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-5-23(13-15(2)3)20(26)16(4)24-12-11-19-18(14-24)21-22-25(19)17-9-7-6-8-10-17/h6-10,16H,2,5,11-14H2,1,3-4H3.
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propanamide?
N-ethyl-N-(2-methylprop-2-enyl)-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propanamide has a molecular weight of 353.47 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylprop-2-enyl)-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propanamide is sourced from PubChem (CID 139010756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).