N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide

C16H20N4O2 — CID 74241623

IUPACN-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
SMILESCn1cnnc1CCC(=O)NC[C@H]1CCc2ccccc2O1
InChIInChI=1S/C16H20N4O2/c1-20-11-18-19-15(20)8-9-16(21)17-10-13-7-6-12-4-2-3-5-14(12)22-13/h2-5,11,13H,6-10H2,1H3,(H,17,21)/t13-/m1/s1
InChIKeyTUYANKAECJPOMO-CYBMUJFWSA-N
MW300.36 g/mol
LogP1.26
Rot. Bonds5

About N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide

N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide (PubChem CID 74241623) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
PubChem CID74241623
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
SMILESCn1cnnc1CCC(=O)NC[C@H]1CCc2ccccc2O1
InChIInChI=1S/C16H20N4O2/c1-20-11-18-19-15(20)8-9-16(21)17-10-13-7-6-12-4-2-3-5-14(12)22-13/h2-5,11,13H,6-10H2,1H3,(H,17,21)/t13-/m1/s1
InChIKeyTUYANKAECJPOMO-CYBMUJFWSA-N
XLogP1.26
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 118770034
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide
CID 134128099
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 74233266
N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 125169907
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 95126904
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide
CID 79192348
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
N-[2-(diethylamino)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 74245822
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 91796163
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 77082448
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94532725
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-hydroxypentanamide
CID 79210222

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide (CID 74241623) is N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide is Cn1cnnc1CCC(=O)NC[C@H]1CCc2ccccc2O1.
What is the InChIKey of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is TUYANKAECJPOMO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-20-11-18-19-15(20)8-9-16(21)17-10-13-7-6-12-4-2-3-5-14(12)22-13/h2-5,11,13H,6-10H2,1H3,(H,17,21)/t13-/m1/s1.
What are the key properties of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 300.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 74241623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).