5-cyclopropyloxy-12-methyl-4,6,8,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene

C14H18N4O — CID 168762150

IUPAC5-cyclopropyloxy-12-methyl-4,6,8,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene
SMILESCN1CCc2[nH]c3nc(OC4CC4)ncc3c2CC1
InChIInChI=1S/C14H18N4O/c1-18-6-4-10-11-8-15-14(19-9-2-3-9)17-13(11)16-12(10)5-7-18/h8-9H,2-7H2,1H3,(H,15,16,17)
InChIKeyOJWHPJKIBUHFLL-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.53
Rot. Bonds2

About 5-cyclopropyloxy-12-methyl-4,6,8,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene

5-cyclopropyloxy-12-methyl-4,6,8,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene (PubChem CID 168762150) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-cyclopropyloxy-12-methyl-4,6,8,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene.

Molecular Properties

Compound Name5-cyclopropyloxy-12-methyl-4,6,8,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene
PubChem CID168762150
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-cyclopropyloxy-12-methyl-4,6,8,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene
SMILESCN1CCc2[nH]c3nc(OC4CC4)ncc3c2CC1
InChIInChI=1S/C14H18N4O/c1-18-6-4-10-11-8-15-14(19-9-2-3-9)17-13(11)16-12(10)5-7-18/h8-9H,2-7H2,1H3,(H,15,16,17)
InChIKeyOJWHPJKIBUHFLL-UHFFFAOYSA-N
XLogP1.53
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-12-methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene
CID 162388621
triethyl-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)silane
CID 168762229
[4-methyl-2-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]methanol
CID 83184563
12-cyclopropyl-5-methoxy-4,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene
CID 168762237
3,11-dimethyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene
CID 162388610
5,12-dimethyl-5,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3-trien-6-one
CID 167172411
2-cyclopropyloxy-N-methylpyrimidin-5-amine
CID 155298367
4,11-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene
CID 162388570
8-chloro-9-fluoro-3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
CID 168762160
7-methyl-2-sulfanylidene-5,6,8,9-tetrahydro-1H-pyrimido[4,5-d]azepine-4-carboxylic acid
CID 83871664
2-cyclobutyloxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 154016990
5-cyclopropyloxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 167201747

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyloxy-12-methyl-4,6,8,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene?
The IUPAC name of 5-cyclopropyloxy-12-methyl-4,6,8,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene (CID 168762150) is 5-cyclopropyloxy-12-methyl-4,6,8,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene.
What is the SMILES notation for 5-cyclopropyloxy-12-methyl-4,6,8,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene?
The canonical SMILES for 5-cyclopropyloxy-12-methyl-4,6,8,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene is CN1CCc2[nH]c3nc(OC4CC4)ncc3c2CC1.
What is the InChIKey of 5-cyclopropyloxy-12-methyl-4,6,8,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene?
The InChIKey is OJWHPJKIBUHFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18-6-4-10-11-8-15-14(19-9-2-3-9)17-13(11)16-12(10)5-7-18/h8-9H,2-7H2,1H3,(H,15,16,17).
What are the key properties of 5-cyclopropyloxy-12-methyl-4,6,8,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene?
5-cyclopropyloxy-12-methyl-4,6,8,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene has a molecular weight of 258.32 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyloxy-12-methyl-4,6,8,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene is sourced from PubChem (CID 168762150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).