(3R)-3-amino-5-fluoro-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one

C10H8FN3O — CID 67134607

IUPAC(3R)-3-amino-5-fluoro-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
SMILESN[C@H]1Cn2c(=O)ccc3ncc(F)c1c32
InChIInChI=1S/C10H8FN3O/c11-5-3-13-7-1-2-8(15)14-4-6(12)9(5)10(7)14/h1-3,6H,4,12H2/t6-/m0/s1
InChIKeyVZTVJHBSRLALBG-LURJTMIESA-N
MW205.19 g/mol
LogP0.55
Rot. Bonds

About (3R)-3-amino-5-fluoro-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one

(3R)-3-amino-5-fluoro-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one (PubChem CID 67134607) has the molecular formula C10H8FN3O and a molecular weight of 205.19 g/mol. Its IUPAC name is (3R)-3-amino-5-fluoro-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one.

Molecular Properties

Compound Name(3R)-3-amino-5-fluoro-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
PubChem CID67134607
Molecular FormulaC10H8FN3O
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Name(3R)-3-amino-5-fluoro-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
SMILESN[C@H]1Cn2c(=O)ccc3ncc(F)c1c32
InChIInChI=1S/C10H8FN3O/c11-5-3-13-7-1-2-8(15)14-4-6(12)9(5)10(7)14/h1-3,6H,4,12H2/t6-/m0/s1
InChIKeyVZTVJHBSRLALBG-LURJTMIESA-N
XLogP0.55
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-Dihydro-3-(1,2,3,6-tetrahydro-4-pyridinyl)-5H-pyrrolo(3,2-b)pyridin-5-one
CID 124007
3-(1-Methyl-piperidin-4-yl)-1,4-dihydro-pyrrolo[3,2-b]pyridin-5-one
CID 10220244
1,4-dihydro-3-(1,2,3,6-tetrahydro-4-pyridinyl)-5H-pyrrol(3,2-b)pyridin-5-one dihydrochloride
CID 46927988
Cp93129 hydrochloride
CID 129718803
3-Fluoro-4,5-dihydro-7h-pyrrolo[3,2,1-de][1,5]naphthyridin-7-one
CID 89320438
3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 869020
(E)-3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 869021
4-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one
CID 132379147
4-[(4-Amino-1-piperidinyl)methyl]-3,4-difluoro-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one
CID 23634204
(E)-3-(4-fluorophenyl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)prop-2-en-1-one
CID 24858082
1-[2-[4-[(3,4-Difluorophenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
CID 44194084
7-Fluoro-1-[2-[4-[(4-fluorophenyl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
CID 44194472

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-5-fluoro-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one?
The IUPAC name of (3R)-3-amino-5-fluoro-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one (CID 67134607) is (3R)-3-amino-5-fluoro-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one.
What is the SMILES notation for (3R)-3-amino-5-fluoro-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one?
The canonical SMILES for (3R)-3-amino-5-fluoro-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one is N[C@H]1Cn2c(=O)ccc3ncc(F)c1c32.
What is the InChIKey of (3R)-3-amino-5-fluoro-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one?
The InChIKey is VZTVJHBSRLALBG-LURJTMIESA-N. The full InChI is InChI=1S/C10H8FN3O/c11-5-3-13-7-1-2-8(15)14-4-6(12)9(5)10(7)14/h1-3,6H,4,12H2/t6-/m0/s1.
What are the key properties of (3R)-3-amino-5-fluoro-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one?
(3R)-3-amino-5-fluoro-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one has a molecular weight of 205.19 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-5-fluoro-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one is sourced from PubChem (CID 67134607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).