13-ethyl-3-fluoro-7-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene

C12H13FN4O — CID 170726455

IUPAC13-ethyl-3-fluoro-7-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene
SMILESCCN1CCOc2nc(C)cc3nc(F)nc1c23
InChIInChI=1S/C12H13FN4O/c1-3-17-4-5-18-11-9-8(6-7(2)14-11)15-12(13)16-10(9)17/h6H,3-5H2,1-2H3
InChIKeyBPDPNECNFDQQFU-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.69
Rot. Bonds1

About 13-ethyl-3-fluoro-7-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene

13-ethyl-3-fluoro-7-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene (PubChem CID 170726455) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 13-ethyl-3-fluoro-7-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene.

Molecular Properties

Compound Name13-ethyl-3-fluoro-7-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene
PubChem CID170726455
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name13-ethyl-3-fluoro-7-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene
SMILESCCN1CCOc2nc(C)cc3nc(F)nc1c23
InChIInChI=1S/C12H13FN4O/c1-3-17-4-5-18-11-9-8(6-7(2)14-11)15-12(13)16-10(9)17/h6H,3-5H2,1-2H3
InChIKeyBPDPNECNFDQQFU-UHFFFAOYSA-N
XLogP1.69
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 13-ethyl-3-fluoro-7-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene with MolForge

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Related Compounds

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4-(2-Piperidin-1-ylethoxy)quinazoline
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N,N-dimethyl-2-quinazolin-4-yloxyethanamine
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2-(4-Allyl-1-piperazinyl)-4-pentyloxyquinazoline
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CID 3076012
4-(2,2,2-Trifluoroethoxy)pyrido[4,3-d]pyrimidine
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2-Chloro-4-[(3,3-difluorocyclobutyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidine
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1-[2-(2-Methylquinazolin-4-yl)oxyethyl]-4-(trifluoromethyl)piperidin-4-ol
CID 162349511
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CID 166561359

Frequently Asked Questions

What is the IUPAC name of 13-ethyl-3-fluoro-7-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene?
The IUPAC name of 13-ethyl-3-fluoro-7-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene (CID 170726455) is 13-ethyl-3-fluoro-7-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene.
What is the SMILES notation for 13-ethyl-3-fluoro-7-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene?
The canonical SMILES for 13-ethyl-3-fluoro-7-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene is CCN1CCOc2nc(C)cc3nc(F)nc1c23.
What is the InChIKey of 13-ethyl-3-fluoro-7-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene?
The InChIKey is BPDPNECNFDQQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-3-17-4-5-18-11-9-8(6-7(2)14-11)15-12(13)16-10(9)17/h6H,3-5H2,1-2H3.
What are the key properties of 13-ethyl-3-fluoro-7-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene?
13-ethyl-3-fluoro-7-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene has a molecular weight of 248.26 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-ethyl-3-fluoro-7-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene is sourced from PubChem (CID 170726455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).