2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-2-amine

C15H20N4O — CID 104770992

IUPAC2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cn(CC2CCOc3ccccc32)nn1
InChIInChI=1S/C15H20N4O/c1-15(2,16)14-10-19(18-17-14)9-11-7-8-20-13-6-4-3-5-12(11)13/h3-6,10-11H,7-9,16H2,1-2H3
InChIKeyUCJXYWIVFOCHSO-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.04
Rot. Bonds3

About 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-2-amine

2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-2-amine (PubChem CID 104770992) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-2-amine
PubChem CID104770992
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cn(CC2CCOc3ccccc32)nn1
InChIInChI=1S/C15H20N4O/c1-15(2,16)14-10-19(18-17-14)9-11-7-8-20-13-6-4-3-5-12(11)13/h3-6,10-11H,7-9,16H2,1-2H3
InChIKeyUCJXYWIVFOCHSO-UHFFFAOYSA-N
XLogP2.04
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-2-amine 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

4-(1-bromoethyl)-1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazole
CID 104771073
3-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-1-amine
CID 106220803
1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazole-4-sulfonamide
CID 104772593
1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine
CID 104768448
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-iodo-1,2,4-triazole
CID 104772475
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
ethyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)tetrazole-5-carboxylate
CID 104772435
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylpyrazol-4-amine
CID 104768444
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine
CID 113451461
[2-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methanamine
CID 113451475

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-2-amine?
The IUPAC name of 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-2-amine (CID 104770992) is 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-2-amine is CC(C)(N)c1cn(CC2CCOc3ccccc32)nn1.
What is the InChIKey of 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-2-amine?
The InChIKey is UCJXYWIVFOCHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(2,16)14-10-19(18-17-14)9-11-7-8-20-13-6-4-3-5-12(11)13/h3-6,10-11H,7-9,16H2,1-2H3.
What are the key properties of 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-2-amine?
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-2-amine has a molecular weight of 272.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-2-amine is sourced from PubChem (CID 104770992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).