3-cyclopropyl-5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazole

C14H15N3O — CID 55227631

IUPAC3-cyclopropyl-5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazole
SMILESc1ccc2c(c1)OCCC2c1nc(C2CC2)n[nH]1
InChIInChI=1S/C14H15N3O/c1-2-4-12-10(3-1)11(7-8-18-12)14-15-13(16-17-14)9-5-6-9/h1-4,9,11H,5-8H2,(H,15,16,17)
InChIKeyCBAWUGGAQUBJMQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.60
Rot. Bonds2

About 3-cyclopropyl-5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazole

3-cyclopropyl-5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazole (PubChem CID 55227631) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-cyclopropyl-5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazole
PubChem CID55227631
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-cyclopropyl-5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazole
SMILESc1ccc2c(c1)OCCC2c1nc(C2CC2)n[nH]1
InChIInChI=1S/C14H15N3O/c1-2-4-12-10(3-1)11(7-8-18-12)14-15-13(16-17-14)9-5-6-9/h1-4,9,11H,5-8H2,(H,15,16,17)
InChIKeyCBAWUGGAQUBJMQ-UHFFFAOYSA-N
XLogP2.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dihydro-2H-chromen-4-yl)-3-phenyl-1H-1,2,4-triazole
CID 63708320
1-[5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazol-3-yl]ethanamine
CID 65404677
3-cyclopropyl-5-(2,3-dihydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole
CID 79214143
3-(3,4-dihydro-2H-chromen-4-yl)-2H-1,2,4-oxadiazole-5-thione
CID 65405652
3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine
CID 65406401
2-(3,4-dihydro-2H-chromen-4-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 65407342
4-chloro-2-(3,4-dihydro-2H-chromen-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 65407159
2-(3,4-dihydro-2H-chromen-4-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476665
2-(3,4-dihydro-2H-chromen-4-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 65408494
2-(3,4-dihydro-2H-chromen-4-yl)-1H-imidazole-5-carbaldehyde
CID 65404715
3-(3,4-dihydro-2H-chromen-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914990
5-(azetidin-3-ylmethyl)-3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole
CID 65413082

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazole (CID 55227631) is 3-cyclopropyl-5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazole is c1ccc2c(c1)OCCC2c1nc(C2CC2)n[nH]1.
What is the InChIKey of 3-cyclopropyl-5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazole?
The InChIKey is CBAWUGGAQUBJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-4-12-10(3-1)11(7-8-18-12)14-15-13(16-17-14)9-5-6-9/h1-4,9,11H,5-8H2,(H,15,16,17).
What are the key properties of 3-cyclopropyl-5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazole?
3-cyclopropyl-5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazole has a molecular weight of 241.29 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 55227631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).