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

C14H16N4O2 — CID 31336256

IUPACN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C14H16N4O2/c19-14(5-7-18-10-15-9-16-18)17-12-6-8-20-13-4-2-1-3-11(12)13/h1-4,9-10,12H,5-8H2,(H,17,19)/t12-/m1/s1
InChIKeyQBVVOODDUIFFCF-GFCCVEGCSA-N
MW272.31 g/mol
LogP1.31
Rot. Bonds4

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

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 31336256) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID31336256
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C14H16N4O2/c19-14(5-7-18-10-15-9-16-18)17-12-6-8-20-13-4-2-1-3-11(12)13/h1-4,9-10,12H,5-8H2,(H,17,19)/t12-/m1/s1
InChIKeyQBVVOODDUIFFCF-GFCCVEGCSA-N
XLogP1.31
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
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5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
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4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
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N-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide
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N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide
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N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide
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N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 126417156
N-(3,4-dihydro-2H-chromen-4-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,2,4-triazol-1-yl)propanamide (CID 31336256) is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)N[C@@H]1CCOc2ccccc21.
What is the InChIKey of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is QBVVOODDUIFFCF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-14(5-7-18-10-15-9-16-18)17-12-6-8-20-13-4-2-1-3-11(12)13/h1-4,9-10,12H,5-8H2,(H,17,19)/t12-/m1/s1.
What are the key properties of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 272.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 31336256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).