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

C15H20N4O — CID 106220803

IUPAC3-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-1-amine
SMILESNCCCc1cn(CC2CCOc3ccccc32)nn1
InChIInChI=1S/C15H20N4O/c16-8-3-4-13-11-19(18-17-13)10-12-7-9-20-15-6-2-1-5-14(12)15/h1-2,5-6,11-12H,3-4,7-10,16H2
InChIKeyCGJBLQZQDAJAEX-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.74
Rot. Bonds5

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

3-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-1-amine (PubChem CID 106220803) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-1-amine
PubChem CID106220803
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-1-amine
SMILESNCCCc1cn(CC2CCOc3ccccc32)nn1
InChIInChI=1S/C15H20N4O/c16-8-3-4-13-11-19(18-17-13)10-12-7-9-20-15-6-2-1-5-14(12)15/h1-2,5-6,11-12H,3-4,7-10,16H2
InChIKeyCGJBLQZQDAJAEX-UHFFFAOYSA-N
XLogP1.74
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-2-amine
CID 104770992
4-(1-bromoethyl)-1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazole
CID 104771073
2-amino-N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)triazol-4-yl]methyl]acetamide
CID 114778327
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine
CID 104768448
3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine
CID 106220963
[2-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methanamine
CID 113451475
1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazole-4-sulfonamide
CID 104772593
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]ethanamine
CID 104771079
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-iodo-1,2,4-triazole
CID 104772475

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-1-amine (CID 106220803) is 3-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-1-amine is NCCCc1cn(CC2CCOc3ccccc32)nn1.
What is the InChIKey of 3-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-1-amine?
The InChIKey is CGJBLQZQDAJAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-8-3-4-13-11-19(18-17-13)10-12-7-9-20-15-6-2-1-5-14(12)15/h1-2,5-6,11-12H,3-4,7-10,16H2.
What are the key properties of 3-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-1-amine?
3-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-1-amine has a molecular weight of 272.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-1-amine is sourced from PubChem (CID 106220803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).