12-cyclopropyl-5-methoxy-4,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene

C15H19N3O — CID 168762237

IUPAC12-cyclopropyl-5-methoxy-4,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene
SMILESCOc1cc2[nH]c3c(c2cn1)CCN(C1CC1)CC3
InChIInChI=1S/C15H19N3O/c1-19-15-8-14-12(9-16-15)11-4-6-18(10-2-3-10)7-5-13(11)17-14/h8-10,17H,2-7H2,1H3
InChIKeyMZAYUYWEMJBNOX-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.13
Rot. Bonds2

About 12-cyclopropyl-5-methoxy-4,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene

12-cyclopropyl-5-methoxy-4,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene (PubChem CID 168762237) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 12-cyclopropyl-5-methoxy-4,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene.

Molecular Properties

Compound Name12-cyclopropyl-5-methoxy-4,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene
PubChem CID168762237
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name12-cyclopropyl-5-methoxy-4,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene
SMILESCOc1cc2[nH]c3c(c2cn1)CCN(C1CC1)CC3
InChIInChI=1S/C15H19N3O/c1-19-15-8-14-12(9-16-15)11-4-6-18(10-2-3-10)7-5-13(11)17-14/h8-10,17H,2-7H2,1H3
InChIKeyMZAYUYWEMJBNOX-UHFFFAOYSA-N
XLogP2.13
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 66612137
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3-iodo-6-methoxy-1H-pyrrolo[3,2-c]pyridine
CID 53412708
triethyl-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)silane
CID 168762229
2-(4-cyclopropylpiperazin-1-yl)-2-(6-methoxy-3-pyridinyl)ethanamine
CID 114937069
11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 122446291
(11cR)-9-methoxy-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indole
CID 118481806
8-(trideuteriomethoxy)-3-(trideuteriomethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
CID 168762206
8-methoxy-3-(2-methylsulfanylethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
CID 168762179
2-[4-[4-[4-(2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]cyclohexyl]-4,8,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-12-yl]phenol
CID 170613261
2-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]-6-methoxy-1-methyl-1H-pyrrolo[3,4-c]pyridin-3-one
CID 53304021
1-[(6-methoxy-4-methyl-3-pyridinyl)sulfonyl]-4-(oxan-4-yl)piperazine
CID 170143993

Frequently Asked Questions

What is the IUPAC name of 12-cyclopropyl-5-methoxy-4,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene?
The IUPAC name of 12-cyclopropyl-5-methoxy-4,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene (CID 168762237) is 12-cyclopropyl-5-methoxy-4,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene.
What is the SMILES notation for 12-cyclopropyl-5-methoxy-4,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene?
The canonical SMILES for 12-cyclopropyl-5-methoxy-4,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene is COc1cc2[nH]c3c(c2cn1)CCN(C1CC1)CC3.
What is the InChIKey of 12-cyclopropyl-5-methoxy-4,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene?
The InChIKey is MZAYUYWEMJBNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-15-8-14-12(9-16-15)11-4-6-18(10-2-3-10)7-5-13(11)17-14/h8-10,17H,2-7H2,1H3.
What are the key properties of 12-cyclopropyl-5-methoxy-4,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene?
12-cyclopropyl-5-methoxy-4,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene has a molecular weight of 257.34 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-cyclopropyl-5-methoxy-4,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene is sourced from PubChem (CID 168762237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).