5-(6-propyl-3,4-dihydro-2H-chromen-3-yl)-2H-tetrazole

C13H16N4O — CID 150579009

IUPAC5-(6-propyl-3,4-dihydro-2H-chromen-3-yl)-2H-tetrazole
SMILESCCCc1ccc2c(c1)CC(c1nn[nH]n1)CO2
InChIInChI=1S/C13H16N4O/c1-2-3-9-4-5-12-10(6-9)7-11(8-18-12)13-14-16-17-15-13/h4-6,11H,2-3,7-8H2,1H3,(H,14,15,16,17)
InChIKeyINKPNPKETJTBBA-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.87
Rot. Bonds3

About 5-(6-propyl-3,4-dihydro-2H-chromen-3-yl)-2H-tetrazole

5-(6-propyl-3,4-dihydro-2H-chromen-3-yl)-2H-tetrazole (PubChem CID 150579009) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-(6-propyl-3,4-dihydro-2H-chromen-3-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(6-propyl-3,4-dihydro-2H-chromen-3-yl)-2H-tetrazole
PubChem CID150579009
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-(6-propyl-3,4-dihydro-2H-chromen-3-yl)-2H-tetrazole
SMILESCCCc1ccc2c(c1)CC(c1nn[nH]n1)CO2
InChIInChI=1S/C13H16N4O/c1-2-3-9-4-5-12-10(6-9)7-11(8-18-12)13-14-16-17-15-13/h4-6,11H,2-3,7-8H2,1H3,(H,14,15,16,17)
InChIKeyINKPNPKETJTBBA-UHFFFAOYSA-N
XLogP1.87
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydro-1H-inden-2-yl)-2H-tetrazole
CID 65415499
N-methyl-5-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 62549578
3-(4-bromophenyl)-6-(2-methylpropyl)-3,4-dihydro-2H-chromene
CID 166773484
3-phenyl-6-propyl-2,4-dihydro-1,3-benzoxazine
CID 144612402
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine
CID 71928049
3-hydroxy-6-propyl-2,3-dihydrochromen-4-one
CID 67687821
3-propyl-6,11-dihydrobenzo[c][1,6]benzodioxocine
CID 123726273
5-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2H-tetrazole
CID 158021450
3-propylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 59134563
N-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-propylbenzenesulfonamide
CID 95117137
2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-propylphenol
CID 91820692
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
CID 65446095

Frequently Asked Questions

What is the IUPAC name of 5-(6-propyl-3,4-dihydro-2H-chromen-3-yl)-2H-tetrazole?
The IUPAC name of 5-(6-propyl-3,4-dihydro-2H-chromen-3-yl)-2H-tetrazole (CID 150579009) is 5-(6-propyl-3,4-dihydro-2H-chromen-3-yl)-2H-tetrazole.
What is the SMILES notation for 5-(6-propyl-3,4-dihydro-2H-chromen-3-yl)-2H-tetrazole?
The canonical SMILES for 5-(6-propyl-3,4-dihydro-2H-chromen-3-yl)-2H-tetrazole is CCCc1ccc2c(c1)CC(c1nn[nH]n1)CO2.
What is the InChIKey of 5-(6-propyl-3,4-dihydro-2H-chromen-3-yl)-2H-tetrazole?
The InChIKey is INKPNPKETJTBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-3-9-4-5-12-10(6-9)7-11(8-18-12)13-14-16-17-15-13/h4-6,11H,2-3,7-8H2,1H3,(H,14,15,16,17).
What are the key properties of 5-(6-propyl-3,4-dihydro-2H-chromen-3-yl)-2H-tetrazole?
5-(6-propyl-3,4-dihydro-2H-chromen-3-yl)-2H-tetrazole has a molecular weight of 244.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-propyl-3,4-dihydro-2H-chromen-3-yl)-2H-tetrazole is sourced from PubChem (CID 150579009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).