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

C15H18N4O2 — CID 94579965

IUPACN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NC[C@@H]1COc2ccccc2C1
InChIInChI=1S/C15H18N4O2/c20-15(5-6-19-11-16-10-18-19)17-8-12-7-13-3-1-2-4-14(13)21-9-12/h1-4,10-12H,5-9H2,(H,17,20)/t12-/m1/s1
InChIKeyNRRFMVOZCUKPBF-GFCCVEGCSA-N
MW286.34 g/mol
LogP1.04
Rot. Bonds5

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

N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 94579965) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID94579965
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NC[C@@H]1COc2ccccc2C1
InChIInChI=1S/C15H18N4O2/c20-15(5-6-19-11-16-10-18-19)17-8-12-7-13-3-1-2-4-14(13)21-9-12/h1-4,10-12H,5-9H2,(H,17,20)/t12-/m1/s1
InChIKeyNRRFMVOZCUKPBF-GFCCVEGCSA-N
XLogP1.04
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 94579965) is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)NC[C@@H]1COc2ccccc2C1.
What is the InChIKey of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is NRRFMVOZCUKPBF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-15(5-6-19-11-16-10-18-19)17-8-12-7-13-3-1-2-4-14(13)21-9-12/h1-4,10-12H,5-9H2,(H,17,20)/t12-/m1/s1.
What are the key properties of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 286.34 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 94579965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).